SCHEMBL12371707

SCHEMBL12371707

C=C1[C@H](O)CC(=C/C=C2\CCC[C@]3(C)C([C@H](C)CCCCC)CC[C@@H]23)C[C@H]1O

nearest known ligand 0.82

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CYP24A1 Q07973 1/20 0.77
▸ VDR P11473 11/20 0.76

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
SCHEMBL12190408 1.00 CYP24A1 (0.77) CYP24A1VDR
SCHEMBL14802244 1.00 CYP24A1 (0.77) CYP24A1VDR
SCHEMBL22422513 1.00 CYP24A1 (0.77) CYP24A1VDR
SCHEMBL12641460 1.00 CYP24A1 (0.77) CYP24A1VDR
SCHEMBL13824840 0.97 CYP24A1 (0.78) CYP24A1VDR
SCHEMBL9009949 0.97 CYP24A1 (0.78) CYP24A1VDR
SCHEMBL13343100 0.97 CYP24A1 (0.78) CYP24A1VDR
SCHEMBL861063 0.95 VDR (0.79) CYP24A1VDR
SCHEMBL19601388 0.95 VDR (0.79) CYP24A1VDR
SCHEMBL9010586 0.95 VDR (0.79) CYP24A1VDR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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

For each of this compound's patents that has machine-readable text (1 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-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 CYP24A1 1/4885VDR 3/4885

“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.

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