SCHEMBL5189486

SCHEMBL5189486

COc1ccc2c(c1)C[C@@H](C)[C@@H]1[C@@H]2[C@@H](C)C[C@]2(C)[C@@H](O)CC[C@@H]12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.49
HSD17B10 Q99714 1/20 0.49
ESR1 P03372 9/20 0.42
HRH3 Q9Y5N1 1/20 0.39
KDM4E B2RXH2 1/20 0.39
CNR2 P34972 1/20 0.38
AR P10275 2/20 0.37
ABCC1 P33527 1/20 0.37
ABCC4 O15439 1/20 0.37
PGR P06401 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
CHRM1 P11229 1/20 0.37
TBXA2R P21731 1/20 0.37
ADRA1A P35348 1/20 0.37
OPRM1 P35372 1/20 0.37
SLC6A3 Q01959 1/20 0.37
ATM Q13315 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ESR2 Q92731 3/20 0.37
STS P08842 1/20 0.37

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
SCHEMBL24103209 0.85 ESR1 (0.48) LMNAHSD17B10ESR1ARPGR
SCHEMBL14558087 0.85 ESR1 (0.48) LMNAHSD17B10ESR1ARPGR
SCHEMBL24103208 0.85 ESR1 (0.48) LMNAHSD17B10ESR1ARPGR
SCHEMBL24102478 0.85 ESR1 (0.48) LMNAHSD17B10ESR1ARPGR
SCHEMBL13400870 0.85 LMNA (0.38) LMNAHSD17B10ESR1HRH3KDM4E
SCHEMBL12101444 0.82 LMNA (0.66) LMNAHSD17B10ESR1HRH3KDM4E
SCHEMBL11858748 0.82 LMNA (0.66) LMNAHSD17B10ESR1HRH3KDM4E
SCHEMBL11096095 0.82 LMNA (0.66) LMNAHSD17B10ESR1KDM4EAR
SCHEMBL5925226 0.82 LMNA (0.66) LMNAHSD17B10ESR1HRH3KDM4E
SCHEMBL1221330 0.82 LMNA (0.66) LMNAHSD17B10ESR1HRH3KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1042352-B1 ANDROGENIC STEROID COMPOUNDS AND A METHOD OF MAKING AND USING THE SAME RES TRIANGLE INST (US) 2007-07-25 EP disclosed
US-6670352-B2 E.g. 7alpha,11beta-dimethyl-17beta-hydroxyestr-4-en-3-one; controlling male fertility; stereospecific synthesis starting from adrenosterone, and introducing the 7alpha substituent prior to an 11-substituent RESEARCH TRIANGLE INSTITUTE 2003-12-30 US disclosed
US-20020103177-A1 Androgenic steroid compounds and a method of making and using the same COOK C EDGAR (US) 2002-08-01 US disclosed
US-6369047-B2 ESTR-4-EN-3-ONE DERIVATIVES WITH ENHANCED ACTIVITY RELATIVE TO TESTOSTERONE DUE TO ENHANCED POTENCY; REDUCTION IN SIZE OF SKIN PATCHES RESEARCH TRIANGLE INSTITUTE 2002-04-09 US disclosed
US-20020002156-A1 ANDROGENIC STEROID COMPOUNDS AND A METHOD OF MAKING AND USING THE SAME COOK C EDGAR (US) 2002-01-03 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-20020002156-A1 ANDROGENIC STEROID COMPOUNDS AND A METHOD OF MAKING AND USING THE SAME NR5A1, CYP17A1, SHBG LMNA 1964/4885HSD17B10 53/4885ESR1 84/4885
US-20020103177-A1 Androgenic steroid compounds and a method of making and using the same NR5A1, CYP17A1, SHBG LMNA 1964/4885HSD17B10 53/4885ESR1 84/4885

“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.