SCHEMBL3730158

SCHEMBL3730158

C=C1/C(=C\C=C2CCC[C@@]3(C)C2CC[C@@H]3[C@H](C)CCCC(C)(O)CO)C[C@@H](O)C[C@H]1O

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VDR P11473 11/20 0.86
MAPT P10636 3/20 0.86
ADORA3 P0DMS8 2/20 0.86
SLC6A2 P23975 2/20 0.86
AGTR1 P30556 2/20 0.86
SMN1; SMN2 Q16637 2/20 0.86
NR1I2 O75469 1/20 0.86
ABCB11 O95342 1/20 0.86
GC P02774 1/20 0.86
PGR P06401 1/20 0.86
RXRA P19793 1/20 0.86
CHRM3 P20309 1/20 0.86
CNR1 P21554 1/20 0.86
HTR2C P28335 1/20 0.86
MAPK1 P28482 1/20 0.86
SLC6A4 P31645 1/20 0.86
ADRA1A P35348 1/20 0.86
PTGS2 P35354 1/20 0.86
OPRD1 P41143 1/20 0.86
OPRK1 P41145 1/20 0.86

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
SCHEMBL9722585 1.00 VDR (0.86) VDRMAPTADORA3SLC6A2AGTR1
SCHEMBL10445242 1.00 VDR (0.86) VDRMAPTADORA3SLC6A2AGTR1
SCHEMBL9722601 1.00 VDR (0.86) VDRMAPTADORA3SLC6A2AGTR1
SCHEMBL11165113 1.00 VDR (0.86) VDRMAPTADORA3SLC6A2AGTR1
SCHEMBL10892411 1.00 VDR (0.86) VDRMAPTADORA3SLC6A2AGTR1
SCHEMBL10895773 1.00 VDR (0.86) VDRMAPTADORA3SLC6A2AGTR1
SCHEMBL23359068 1.00 VDR (0.86) VDRMAPTADORA3SLC6A2AGTR1
SCHEMBL9722594 1.00 VDR (0.86) VDRMAPTADORA3SLC6A2AGTR1
SCHEMBL9173699 1.00 VDR (0.86) VDRMAPTADORA3SLC6A2AGTR1
SCHEMBL9722605 1.00 VDR (0.86) VDRMAPTADORA3SLC6A2AGTR1

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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0401357-B1 IMPROVING REPRODUCTIVE FUNCTIONS IN MAMMALS WISCONSIN ALUMNI RES FOUND (US) 1996-03-20 EP claimed
EP-0207451-B1 PHARMACEUTICAL PREPARATIONS F. HOFFMANN-LA ROCHE AG (CH) 1991-12-18 EP claimed
EP-0401357-A1 METHOD FOR IMPROVING REPRODUCTIVE FUNCTIONS IN MAMMALS. WISCONSIN ALUMNI RES FOUND (US) 1990-12-12 EP claimed
EP-0207451-A2 Pharmaceutical preparations F. HOFFMANN-LA ROCHE AG (CH) 1987-01-07 EP claimed
EP-0086476-B1 UTILIZATION OF CHOLECALCIFEROL DERIVATIVES F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1986-05-07 EP claimed
EP-0086476-A2 Utilization of cholecalciferol derivatives F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1983-08-24 EP claimed
JP-8103227-A None JP disclosed
JP-58210017-A None JP disclosed
EP-2190422-A1 A METHOD OF EXTENDING THE DOSE RANGE OF VITAMIN D COMPOUNDS Wisconsin Alumni Research Foundation (US) 2010-06-02 EP disclosed
WO-2009026265-A1 A METHOD OF EXTENDING THE DOSE RANGE OF VITAMIN D COMPOUNDS WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2009-02-26 WO disclosed
US-20080249068-A1 Method of Extending the Dose Range of Vitamin D Compounds WISCONSIN ALUMNI RESEARCH FOUNDATION 2008-10-09 US disclosed
US-7259143-B2 Method of extending the dose range of vitamin D compounds WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2007-08-21 US disclosed
EP-1545549-A1 A METHOD OF EXTENDING THE DOSE RANGE OF VITAMIN D COMPOUNDS WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2005-06-29 EP disclosed
JP-S58210017-A ANTITUMOR AGENT KUREHA CHEM IND CO LTD 1983-12-07 JP disclosed
US-4407754-A Cholecalciferol derivatives HOFFMANN-LA ROCHE INC. (US) 1983-10-04 US disclosed
US-4407754-A Cholecalciferol derivatives HOFFMANN-LA ROCHE INC. (US) 1983-10-04 US disclosed
EP-0086476-A2 Utilization of cholecalciferol derivatives F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1983-08-24 EP disclosed
EP-0077353-A1 1-HYDROXYLATION PROCESS WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 1983-04-27 EP disclosed
WO-1982003864-A1 1-HYDROXYLATION PROCESS WISCONSIN ALUMNI RES FOUND (US) 1982-11-11 WO disclosed
US-4225525-A Vitamin D3 metabolite derivatives HOFFMANN-LA ROCHE INC. (US) 1980-09-30 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-20080249068-A1 Method of Extending the Dose Range of Vitamin D Compounds VDR, CASK, CYP24A1 VDR 1/4885MAPT 3703/4885ADORA3 841/4885

“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.