SCHEMBL3728240

SCHEMBL3728240

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

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VDR P11473 12/20 0.75
MAPT P10636 3/20 0.75
SMN1; SMN2 Q16637 2/20 0.75
NR1I2 O75469 1/20 0.75
ABCB11 O95342 1/20 0.75
GC P02774 1/20 0.75
PGR P06401 1/20 0.75
ADORA3 P0DMS8 1/20 0.75
RXRA P19793 1/20 0.75
CHRM3 P20309 1/20 0.75
CNR1 P21554 1/20 0.75
SLC6A2 P23975 1/20 0.75
HTR2C P28335 1/20 0.75
MAPK1 P28482 1/20 0.75
AGTR1 P30556 1/20 0.75
SLC6A4 P31645 1/20 0.75
ADRA1A P35348 1/20 0.75
PTGS2 P35354 1/20 0.75
OPRD1 P41143 1/20 0.75
OPRK1 P41145 1/20 0.75

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
SCHEMBL11317373 1.00 VDR (0.75) VDRMAPTSMN1; SMN2NR1I2ABCB11
SCHEMBL5305802 1.00 VDR (0.75) VDRMAPTSMN1; SMN2NR1I2ABCB11
SCHEMBL11226670 1.00 VDR (0.75) VDRMAPTSMN1; SMN2NR1I2ABCB11
SCHEMBL23359104 0.92 VDR (0.77) VDRMAPTSMN1; SMN2NR1I2ABCB11
SCHEMBL9001015 0.92 VDR (0.77) VDRMAPTSMN1; SMN2NR1I2ABCB11
SCHEMBL23359105 0.92 VDR (0.77) VDRMAPTSMN1; SMN2NR1I2ABCB11
SCHEMBL5872989 0.91 VDR (0.76) VDRMAPTSMN1; SMN2NR1I2ABCB11
SCHEMBL6402298 0.91 VDR (0.76) VDRMAPTSMN1; SMN2NR1I2ABCB11
SCHEMBL5873196 0.91 VDR (0.76) VDRMAPTSMN1; SMN2NR1I2ABCB11
SCHEMBL6401347 0.91 VDR (0.76) VDRMAPTSMN1; SMN2NR1I2ABCB11

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 18 patents. 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-0401357-A1 METHOD FOR IMPROVING REPRODUCTIVE FUNCTIONS IN MAMMALS. WISCONSIN ALUMNI RES FOUND (US) 1990-12-12 EP claimed
WO-1990006121-A2 METHOD FOR IMPROVING REPRODUCTIVE FUNCTIONS IN MAMMALS WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 1990-06-14 WO claimed
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
US-20040053813-A1 Method of extending the dose range of vitamin D compounds WISCONSIN ALUMNI RESEARCH FOUNDATION 2004-03-18 US disclosed
WO-2004022068-A1 A METHOD OF EXTENDING THE DOSE RANGE OF VITAMIN D COMPOUNDS WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2004-03-18 WO disclosed
US-20020045772-A1 Vitamin D derivative having substituent at 2beta-position CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2002-04-18 US disclosed
US-6291444-B1 Treatment of t-cell immunodeficiencies with vitamin D compounds WISCONSIN ALUMNI RESEARCH FOUNDATION 2001-09-18 US disclosed
EP-1070704-A1 VITAMIN D DERIVATIVES SUBSTITUTED AT THE 2$g(b)-POSITION CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2001-01-24 EP disclosed
EP-0401357-B1 IMPROVING REPRODUCTIVE FUNCTIONS IN MAMMALS WISCONSIN ALUMNI RES FOUND (US) 1996-03-20 EP disclosed
EP-0549367-A1 Method of treating milk fever disease in dairy cattle WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 1993-06-30 EP disclosed
EP-0401357-A1 METHOD FOR IMPROVING REPRODUCTIVE FUNCTIONS IN MAMMALS. WISCONSIN ALUMNI RES FOUND (US) 1990-12-12 EP disclosed
WO-1982002893-A1 1 ALPHA,25-DIHYDROXY-2 BETA-FLUOROVITAMIN D3 WISCONSIN ALUMNI RES FOUND (US) 1982-09-02 WO disclosed
US-4307025-A 1α, 25-dihydroxy-2β-fluorovitamin D3 WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 1981-12-22 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 (3 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-20020045772-A1 Vitamin D derivative having substituent at 2beta-position CYP2R1, CYP24A1, VDR VDR 3/4885MAPT 4885/4885SMN1; SMN2 4862/4885
US-20080249068-A1 Method of Extending the Dose Range of Vitamin D Compounds VDR, CASK, CYP24A1 VDR 1/4885MAPT 3703/4885SMN1; SMN2 3869/4885
US-20040053813-A1 Method of extending the dose range of vitamin D compounds VDR, SOST, CASK VDR 1/4885MAPT 3886/4885SMN1; SMN2 3375/4885

“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.