SCHEMBL7158826

SCHEMBL7158826

C=C1C(=CC=C2CCC[C@]3(C)C([C@H](C)SC(=O)Oc4ccccc4)=CC[C@@H]23)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP24A1 Q07973 3/20 0.43
CYP27B1 O15528 1/20 0.43
VDR P11473 3/20 0.38

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
SCHEMBL12404634 1.00 CYP24A1 (0.43) CYP24A1CYP27B1VDR
SCHEMBL7158824 1.00 CYP24A1 (0.43) CYP24A1CYP27B1VDR
SCHEMBL12404639 1.00 CYP24A1 (0.43) CYP24A1CYP27B1VDR
SCHEMBL7161961 1.00 CYP24A1 (0.43) CYP24A1CYP27B1VDR
SCHEMBL2167074 0.84 CYP24A1 (0.40) CYP24A1CYP27B1VDR
SCHEMBL2164593 0.84 CYP24A1 (0.49) CYP24A1CYP27B1VDR
SCHEMBL2165775 0.84 CYP24A1 (0.49) CYP24A1CYP27B1VDR
SCHEMBL2164599 0.84 CYP24A1 (0.49) CYP24A1CYP27B1VDR
SCHEMBL20243718 0.84 CYP24A1 (0.49) CYP24A1CYP27B1VDR
SCHEMBL7900522 0.83 CYP24A1 (0.39) CYP24A1CYP27B1VDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0947504-B1 16-ENE-VITAMIN D DERIVATIVES CHUGAI PHARMACEUTICAL CO LTD (JP) 2003-09-03 EP disclosed
US-6555699-B2 Antitumor and antirheumatic agents, high binding affinity CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-04-29 US disclosed
US-20020193616-A1 16-ENE-VITAMIN D DERIVATIVES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2002-12-19 US disclosed
US-6433200-B1 ANTITUMOR AND ANTIRHEUMATIC AGENTS, HIGH BINDING AFINITY TO VITAMIN D RECEPTORS AND WEAK HYPERCALCEMIC ACTIVITY CHUGEI SEIYAKU KABUSHIKI KAISHA (JP) 2002-08-13 US disclosed
US-20020032340-A1 16-ene-vitamin D derivatives CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2002-03-14 US disclosed
US-6326503-B1 ANTITUMOR AGENTS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2001-12-04 US disclosed
US-6184398-B1 ANTITUMOR AGENTS AND TREATMENT OF RHEUMATIC CONDITIONS; HIGH BINDING ABILITY TO VITAMIN D RECEPTORS AND WEAK HYPERCALCEMIC ACTIVITY; E.G.,1,3-DIHYDROXY-20-3-HYDROXY-3-METHYLBUTYLTHIO)-9,10-SECOPREGNA -5,7,10(19),16-TETRAENE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2001-02-06 US disclosed
EP-0947504-A1 16-ENE-VITAMIN D DERIVATIVES Chugai Seiyaku Kabushiki Kaisha (JP) 1999-10-06 EP 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 (2 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-20020193616-A1 16-ENE-VITAMIN D DERIVATIVES VDR, CYP24A1, CYP2R1 CYP24A1 2/4885CYP27B1 4/4885VDR 1/4885
US-20020032340-A1 16-ene-vitamin D derivatives VDR, CYP2R1, CYP24A1 CYP24A1 3/4885CYP27B1 4/4885VDR 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.