SCHEMBL12371728

SCHEMBL12371728

C#COC(=O)c1ccc(C#Cc2ccc3c(c2)C(C)(C)CCS3)nc1

nearest known ligand 0.78

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RARB P10826 13/20 0.78
RARG P13631 13/20 0.78
RARA P10276 12/20 0.78
CYP3A4 P08684 3/20 0.78
KMT2A Q03164 1/20 0.78
CYP26A1 O43174 2/20 0.75
RXRA P19793 2/20 0.40
CRABP2 P29373 1/20 0.39
GRM5 P41594 4/20 0.35
BACE1 P56817 1/20 0.34
BACE2 Q9Y5Z0 1/20 0.34

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
SCHEMBL19560666 0.89 RARA (0.82) RARBRARGRARACYP3A4KMT2A
SCHEMBL17885756 0.89 RARB (0.81) RARBRARGRARACYP3A4KMT2A
Tazarotene SCHEMBL29512592 0.88 RARA (1.00) RARBRARGRARACYP3A4KMT2A
Tazarotene SCHEMBL29397163 0.88 RARA (1.00) RARBRARGRARACYP3A4KMT2A
Tazarotene SCHEMBL3134 0.88 RARA (1.00) RARBRARGRARACYP3A4KMT2A
Tazarotene SCHEMBL5747908 0.88 RARA (1.00) RARBRARGRARACYP3A4KMT2A
Tazarotene SCHEMBL6101987 0.87 RARA (0.98) RARBRARGRARACYP3A4KMT2A
Tazarotenic Acid SCHEMBL678713 0.86 CYP3A4 (1.00) RARBRARGRARACYP3A4KMT2A
SCHEMBL14330777 0.86 CYP3A4 (0.84) RARBRARGRARACYP3A4KMT2A
Tazarotenic Acid SCHEMBL29466098 0.86 CYP3A4 (1.00) RARBRARGRARACYP3A4KMT2A

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 7 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-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-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-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-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

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

For each of this compound's patents that has machine-readable text (5 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 RARB 8/4885RARG 7/4885RARA 4/4885
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 RARB 6/4885RARG 7/4885RARA 4/4885
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 RARB 6/4885RARG 7/4885RARA 4/4885
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 RARB 6/4885RARG 7/4885RARA 4/4885
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 RARB 6/4885RARG 7/4885RARA 4/4885

“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.