SCHEMBL5166260

SCHEMBL5166260

CC[C@]12CC[C@@H]3c4ccc(OC)cc4CC[C@H]3[C@@H]1CC[C@@H]2O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.71
HSD17B10 Q99714 4/20 0.71
SMN1; SMN2 Q16637 2/20 0.57
MAPT P10636 2/20 0.57
RECQL P46063 2/20 0.57
HSD17B1 P14061 1/20 0.57
ESR1 P03372 5/20 0.57
HRH3 Q9Y5N1 1/20 0.55
CYP2C19 P33261 3/20 0.55
PGR P06401 2/20 0.55
SLC6A3 Q01959 2/20 0.55
CYP1A2 P05177 2/20 0.55
HIF1A Q16665 2/20 0.55
CYP3A4 P08684 1/20 0.55
ABCC1 P33527 1/20 0.55
NR3C1 P04150 1/20 0.55
CNR1 P21554 1/20 0.55
SLC6A2 P23975 1/20 0.55
SLC6A4 P31645 1/20 0.55
ABCC4 O15439 1/20 0.55

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
SCHEMBL11672711 1.00 LMNA (0.71) LMNAHSD17B10SMN1; SMN2MAPTRECQL
SCHEMBL11860032 1.00 LMNA (0.71) LMNAHSD17B10SMN1; SMN2MAPTRECQL
SCHEMBL11861850 0.92 LMNA (0.69) LMNAHSD17B10SMN1; SMN2MAPTRECQL
SCHEMBL16937721 0.91 LMNA (0.71) LMNAHSD17B10SMN1; SMN2MAPTRECQL
SCHEMBL11854711 0.91 LMNA (0.67) LMNAHSD17B10SMN1; SMN2MAPTRECQL
SCHEMBL11854716 0.91 LMNA (0.67) LMNAHSD17B10SMN1; SMN2MAPTRECQL
SCHEMBL11856567 0.90 HRH3 (0.59) LMNAHSD17B10SMN1; SMN2MAPTRECQL
SCHEMBL11856182 0.89 LMNA (0.65) LMNAHSD17B10SMN1; SMN2MAPTRECQL
SCHEMBL11858790 0.89 LMNA (0.67) LMNAHSD17B10SMN1; SMN2MAPTRECQL
SCHEMBL5164676 0.86 ESR2 (0.70) LMNAHSD17B10SMN1; SMN2MAPTRECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1772462-A2 Steroid sulfamates, method for the production and use thereof Sterix Limited (GB) 2007-04-11 EP disclosed
EP-0970104-B1 STEROID SULFAMATES, METHOD FOR THE PRODUCTION AND USE THEREOF STERIX LTD (GB) 2006-11-22 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
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
US-6339079-B1 FOR THERAPY AND DIAGNOSIS OF ESTROGEN-DEPENDENT TUMORS ID PHARMA GMBH (DE) 2002-01-15 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 4408/4885HSD17B10 716/4885SMN1; SMN2 4874/4885
US-20050020695-A1 Use of ERbeta-selective ligands for regulating fertility and compounds useful therefor ESRRA, ESR2, ESRRB LMNA 4313/4885HSD17B10 793/4885SMN1; SMN2 4876/4885

“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.