SCHEMBL12371673

SCHEMBL12371673

C=C1[C@H](O)CC(=C/C=C2\CCCC3(C)C2CCC3C(C)C)C[C@H]1O

nearest known ligand 0.73

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
VDR P11473 7/20 0.70
CYP24A1 Q07973 1/20 0.68

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13222947 1.00 VDR (0.70) VDRCYP24A1
SCHEMBL860154 1.00 VDR (0.70) VDRCYP24A1
SCHEMBL9009924 1.00 VDR (0.70) VDRCYP24A1
SCHEMBL13666149 0.90 VDR (0.61) VDR
Becocalcidiol SCHEMBL23752369 0.89 VDR (0.76) VDRCYP24A1
Becocalcidiol SCHEMBL9009928 0.89 VDR (0.76) VDRCYP24A1
Becocalcidiol SCHEMBL13666147 0.89 VDR (0.76) VDRCYP24A1
Becocalcidiol SCHEMBL10820222 0.89 VDR (0.76) VDRCYP24A1
Becocalcidiol SCHEMBL9010345 0.89 VDR (0.76) VDRCYP24A1
Becocalcidiol SCHEMBL23752370 0.89 VDR (0.76) VDRCYP24A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170326159-A1 METHODS OF USE TO ORALLY AND TOPICALLY TREAT ACNE AND OTHER SKIN CONDITIONS BY ADMINISTERING A 19-NOR CONTAINING VITAMIN D ANALOG WITH OR WITHOUT A RETINOID WISCONSIN ALUMNI RES FOUND (US) 2017-11-16 US disclosed
US-20170326159-A1 METHODS OF USE TO ORALLY AND TOPICALLY TREAT ACNE AND OTHER SKIN CONDITIONS BY ADMINISTERING A 19-NOR CONTAINING VITAMIN D ANALOG WITH OR WITHOUT A RETINOID WISCONSIN ALUMNI RES FOUND (US) 2017-11-16 US disclosed
EP-2101727-B1 COMPOSITIONS FOR USE TO TOPICALLY TREAT ACNE BY ADMINISTERING A 19-NOR CONTAINING VITAMIN D ANALOG WITH OR WITHOUT A RETINOID WISCONSIN ALUMNI RES FOUND (US) 2017-11-08 EP disclosed
US-20160235770-A1 METHODS OF USE TO ORALLY AND TOPICALLY TREAT ACNE AND OTHER SKIN CONDITIONS BY ADMINISTERING A 19-NOR CONTAINING VITAMIN D ANALOG WITH OR WITHOUT A RETINOID WISCONSIN ALUMNI RESEARCH FOUNDATION 2016-08-18 US disclosed
US-20160235770-A1 METHODS OF USE TO ORALLY AND TOPICALLY TREAT ACNE AND OTHER SKIN CONDITIONS BY ADMINISTERING A 19-NOR CONTAINING VITAMIN D ANALOG WITH OR WITHOUT A RETINOID WISCONSIN ALUMNI RESEARCH FOUNDATION 2016-08-18 US disclosed
US-9339509-B2 Methods of use to orally and topically treat acne and other skin conditions by administering a 19-nor containing vitamin D analog with or without a retinoid WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2016-05-17 US disclosed
US-9339509-B2 Methods of use to orally and topically treat acne and other skin conditions by administering a 19-nor containing vitamin D analog with or without a retinoid WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2016-05-17 US disclosed
US-20140018332-A1 METHODS OF USE TO ORALLY AND TOPICALLY TREAT ACNE AND OTHER SKIN CONDITIONS BY ADMINISTERING A 19-NOR CONTAINING VITAMIN D ANALOG WITH OR WITHOUT A RETINOID WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2014-01-16 US disclosed
US-20140018332-A1 METHODS OF USE TO ORALLY AND TOPICALLY TREAT ACNE AND OTHER SKIN CONDITIONS BY ADMINISTERING A 19-NOR CONTAINING VITAMIN D ANALOG WITH OR WITHOUT A RETINOID WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2014-01-16 US disclosed
EP-2591769-A2 Compounds, compositions, kits and methods of use to topically treat acne and other skin conditions by administering a 19-nor containing vitamin D analog. Wisconsin Alumni Research Foundation (US) 2013-05-15 EP disclosed
US-8404667-B2 2-methylene-19-nor-20(S)-1 alpha -hydroxy-bishomopregnacalciferol; 13-cis-retinoic acid activator; acne, psoriasis, ichthyosis, photoaging, photodamaged skin, skin cancer WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2013-03-26 US disclosed
US-8404667-B2 2-methylene-19-nor-20(S)-1 alpha -hydroxy-bishomopregnacalciferol; 13-cis-retinoic acid activator; acne, psoriasis, ichthyosis, photoaging, photodamaged skin, skin cancer WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2013-03-26 US disclosed
US-20110195941-A1 Methods of Use To Orally and Topically Treat Acne and Other Skin Conditions By Administering a 19-NOR Containing Vitamin D Analog With or Without a Retinoid WISCONSIN ALUMNI RESEARCH FOUNDATION 2011-08-11 US disclosed
US-20110195941-A1 Methods of Use To Orally and Topically Treat Acne and Other Skin Conditions By Administering a 19-NOR Containing Vitamin D Analog With or Without a Retinoid WISCONSIN ALUMNI RESEARCH FOUNDATION 2011-08-11 US disclosed
US-RE41491-E1 for suppression of secondary hyperparathyroidism of renal osteodystrophy; treats autoimmune diseases, including multiple sclerosis, lupis, diabetes mellitus, host versus graft reaction, and rejection of organ transplants; antiinflammtory and anticarcinogenic agent WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2010-08-10 US disclosed
US-7534778-B2 (20S)-1α-hydroxy-2-methylene-19-nor-bishomopregnacalciferol and its uses WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2009-05-19 US disclosed
US-20080261925-A1 COMPOUNDS, COMPOSITIONS, KITS AND METHODS OF USE TO ORALLY AND TOPICALLY TREAT ACNE AND OTHER SKIN CONDITIONS BY ADMINISTERING A 19-NOR CONTAINING VITAMIN D ANALOG WITH OR WITHOUT A RETINOID WISCONSIN ALUMNI RESEARCH FOUNDATION 2008-10-23 US disclosed
US-20080261925-A1 COMPOUNDS, COMPOSITIONS, KITS AND METHODS OF USE TO ORALLY AND TOPICALLY TREAT ACNE AND OTHER SKIN CONDITIONS BY ADMINISTERING A 19-NOR CONTAINING VITAMIN D ANALOG WITH OR WITHOUT A RETINOID WISCONSIN ALUMNI RESEARCH FOUNDATION 2008-10-23 US disclosed
WO-2008083370-A2 COMPOUNDS, COMPOSTIONS, KITS AND METHODS OF USE TO ORALLY AND TOPICALLY TREAT ACNE AND OTHER SKIN CONDITIONS BY ADMINSTERING A 19-NOR CONTAINING VITAMIN D ANALOG WITH OR WITHOUT A REYINOID WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2008-07-10 WO disclosed
US-20080096851-A1 (20S)-1Alpha-Hydroxy-2-Methylene-19-Nor-Bishomopregnacalciferol and Its Uses WISCONSIN ALUMNI RESEARCH FOUNDATION, A NON-STOCK, NON-PROFIT WISCONSIN CORPORATION (US) 2008-04-24 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080261925-A1 COMPOUNDS, COMPOSITIONS, KITS AND METHODS OF USE TO ORALLY AND TOPICALLY TREAT ACNE AND OTHER SKIN CONDITIONS BY ADMINISTERING A 19-NOR CONTAINING VITAMIN D ANALOG WITH OR WITHOUT A RETINOID CYP2R1, CYP24A1, VDR VDR 3/4885CYP24A1 2/4885
US-20170326159-A1 METHODS OF USE TO ORALLY AND TOPICALLY TREAT ACNE AND OTHER SKIN CONDITIONS BY ADMINISTERING A 19-NOR CONTAINING VITAMIN D ANALOG WITH OR WITHOUT A RETINOID CYP24A1, CYP2R1, VDR VDR 3/4885CYP24A1 1/4885
US-20140018332-A1 METHODS OF USE TO ORALLY AND TOPICALLY TREAT ACNE AND OTHER SKIN CONDITIONS BY ADMINISTERING A 19-NOR CONTAINING VITAMIN D ANALOG WITH OR WITHOUT A RETINOID CYP24A1, CYP2R1, VDR VDR 3/4885CYP24A1 1/4885
US-20110195941-A1 Methods of Use To Orally and Topically Treat Acne and Other Skin Conditions By Administering a 19-NOR Containing Vitamin D Analog With or Without a Retinoid CYP24A1, CYP2R1, VDR VDR 3/4885CYP24A1 1/4885
US-20160235770-A1 METHODS OF USE TO ORALLY AND TOPICALLY TREAT ACNE AND OTHER SKIN CONDITIONS BY ADMINISTERING A 19-NOR CONTAINING VITAMIN D ANALOG WITH OR WITHOUT A RETINOID CYP24A1, CYP2R1, VDR VDR 3/4885CYP24A1 1/4885
US-20080096851-A1 (20S)-1Alpha-Hydroxy-2-Methylene-19-Nor-Bishomopregnacalciferol and Its Uses CYP24A1, CYP27B1, CYP2R1 VDR 4/4885CYP24A1 1/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.