SCHEMBL4623091

SCHEMBL4623091

CC[C@]12CC[C@@H]3c4ccc(OC)cc4CC[C@H]3[C@@H]1CCC2=O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.72
HSD17B1 P14061 3/20 0.72
MAPT P10636 2/20 0.72
RECQL P46063 1/20 0.72
SMN1; SMN2 Q16637 1/20 0.72
STS P08842 6/20 0.57
HSD17B10 Q99714 2/20 0.56
ESR1 P03372 5/20 0.56
KDM4E B2RXH2 2/20 0.56
ESR2 Q92731 2/20 0.56
ABCC4 O15439 1/20 0.56
CYP2C9 P11712 1/20 0.56
ABCC1 P33527 1/20 0.56
SLCO1B1 Q9Y6L6 1/20 0.56
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
CA4 P22748 1/20 0.56
CA6 P23280 1/20 0.56
CA9 Q16790 1/20 0.56
ALDH1A1 P00352 1/20 0.56

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
SCHEMBL11857394 1.00 LMNA (0.72) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL11857389 1.00 LMNA (0.72) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL28068491 1.00 LMNA (0.72) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL11862021 1.00 LMNA (0.72) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL11853537 0.90 LMNA (0.71) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL8900956 0.89 LMNA (0.69) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL7177976 0.88 STS (0.74) LMNAHSD17B1MAPTRECQLSMN1; SMN2
Methoxymethane SCHEMBL11237362 0.87 HSD17B1 (0.70) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL7186839 0.85 HSD17B1 (0.74) LMNAHSD17B1MAPTRECQLSMN1; SMN2
SCHEMBL14946871 0.85 HSD17B1 (0.65) LMNAHSD17B1MAPTRECQLSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1365768-B1 USE OF ER-BETA SELECTIVE ANTAGONISTS AS CONTRACEPTIVES BAYER SCHERING PHARMA AG (DE) 2008-05-07 EP disclosed
US-20050020695-A1 Use of ERbeta-selective ligands for regulating fertility and compounds useful therefor BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2005-01-27 US disclosed
US-6794409-B2 HOMOSTEROIDS SUCH AS 17-CHLORO-17A-ALPHA-ETHINYL-17A, 18A-DIHOMO-ESTRA-1,3,5(10),16-TETRAENE-3,17A BETA-DIOL; WITHOUT USE OF PROGESTIN; CONTRACEPTION; FOR TREATMENT OF PROLIFERATIVE DISEASES OF THE OVARY SCHERING AG (DE) 2004-09-21 US disclosed
EP-1365768-A2 USE OF ERSS-SELECTIVE LIGANDS FOR REGULATING FERTILITY AND COMPOUNDS USEFUL THEREFORE Schering Aktiengesellschaft (DE) 2003-12-03 EP disclosed
US-20030083377-A1 Use of ERbeta-selective ligands for regulating fertility and compounds useful therefor SCHERING AKTIENGESELLSCHAFT (DE) 2003-05-01 US disclosed
WO-2002068548-A9 USE OF ERSS-SELECTIVE LIGANDS FOR REGULATING FERTILITY AND COMPOUNDS USEFUL THEREFORE SCHERING AG (DE) 2003-02-20 WO disclosed
WO-2002068548-A1 USE OF ERSS-SELECTIVE LIGANDS FOR REGULATING FERTILITY AND COMPOUNDS USEFUL THEREFORE SCHERING AG (DE) 2002-09-06 WO disclosed
EP-0815120-B1 17-DIFLUOROMETHYLENE-OESTRATRIENES SCHERING AG (DE) 2001-02-14 EP disclosed
US-6136800-A STEROIDS SCHERING AKTIENGESELLSCHAFT (DE) 2000-10-24 US disclosed
US-6018062-A SUCH AS 17-DIFLUOROMETHYLENE-ESTRA-1,3,5(10)-TRIEN-3-OL; USE AS ANTIOXIDANTS AND VASCULOPROTECTIVE AGENTS AS THEY CAUSE VASODILATOR NITROGEN OXIDE RELEASE AND PREVENT OXIDATION OF LDL CHOLESTEROL SCHERING AKTIENGESELLSCHAFT (DE) 2000-01-25 US disclosed
EP-0285548-A1 Process for the preparation of 17-alpha-ethynyl-17-beta-hydroxy-18-methyl-4,15-estradien-3-one, and intermediates for this process SCHERING AKTIENGESELLSCHAFT (DE) 1988-10-05 EP disclosed
US-4333928-A PROGESTATIONAL ACTIVITY SCHERING, AKTIENGESELLSCHAFT (DE) 1982-06-08 US disclosed
EP-0019247-B1 16-ALPHA-ALKYL STEROIDS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SCHERING AKTIENGESELLSCHAFT (DE) 1981-11-25 EP disclosed
EP-0019247-A1 16-Alpha-alkyl steroids, process for their preparation and pharmaceutical compositions containing them SCHERING AKTIENGESELLSCHAFT (DE) 1980-11-26 EP disclosed
US-4118488-A 4-Androsten-3-ones and process for the preparation thereof SCHERING AKTIENGESELLSCHAFT (DE) 1978-10-03 US disclosed
US-4016269-A 17α-HYDROXY-1,3,5(10),15-ESTRATETRAENES AND PROCESS FOR THEIR PRODUCTION SCHERING AKTIENGESELLSCHAFT (DT) 1977-04-05 US disclosed
US-3984476-A CONTRACEPTIVES AND MENSTRUAL CYCLE REGULATORS FURST ANDOR 1976-10-05 US disclosed
US-3971809-A 3A,4,7,7A-Tetrahydro-4-phenylethyl-7a-alkyl-5(6H)-indanones and process for the preparation thereof HOFFMANN-LA ROCHE INC. (US) 1976-07-27 US disclosed
US-3959322-A Synthesis of 13-alkyl-gon-4-ones Smith, Herchel (US) 1976-05-25 US disclosed
US-3933870-A Synthesis of A-ring aromatic steroids HOFFMANN-LA ROCHE INC. (US) 1976-01-20 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 (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-20030083377-A1 Use of ERbeta-selective ligands for regulating fertility and compounds useful therefor ESRRA, ESRRB, ESR2 LMNA 4408/4885HSD17B1 280/4885MAPT 4773/4885
US-20050020695-A1 Use of ERbeta-selective ligands for regulating fertility and compounds useful therefor ESRRA, ESR2, ESRRB LMNA 4313/4885HSD17B1 261/4885MAPT 4773/4885

“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.