SCHEMBL6297465

SCHEMBL6297465

CC(=O)O[C@H]1CC[C@H]2[C@@H]3C=CC4=CC(=O)CC[C@@H]4[C@H]3[C@@H](C)C[C@]12C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 6/20 0.47
▸ CYP17A1 P05093 1/20 0.46
▸ PGR P06401 4/20 0.38
▸ NR3C2 P08235 2/20 0.38
▸ CYP3A4 P08684 3/20 0.36
▸ CYP2C19 P33261 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ CHRM1 P11229 1/20 0.36
▸ TBXA2R P21731 1/20 0.36
▸ ADRA1A P35348 1/20 0.36
▸ ESR1 P03372 2/20 0.36
▸ LMNA P02545 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ BRCA1 P38398 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ MAPT P10636 3/20 0.35
▸ TP53 P04637 1/20 0.34

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
SCHEMBL7536116 1.00 AR (0.47) ARCYP17A1PGRNR3C2CYP3A4
SCHEMBL6841601 0.83 AR (0.48) ARPGRNR3C2ALDH1A1LMNA
SCHEMBL13400874 0.83 AR (0.48) ARPGRNR3C2ALDH1A1LMNA
SCHEMBL13139936 0.82 CYP17A1 (0.54) ARCYP17A1PGRNR3C2CYP3A4
SCHEMBL17302786 0.82 CYP17A1 (0.54) ARCYP17A1PGRNR3C2CYP3A4
SCHEMBL14200096 0.82 CYP17A1 (0.54) ARCYP17A1PGRNR3C2CYP3A4
SCHEMBL13397495 0.82 CYP17A1 (0.54) ARCYP17A1PGRNR3C2CYP3A4
SCHEMBL8843324 0.82 CYP17A1 (0.54) ARCYP17A1PGRNR3C2CYP3A4
SCHEMBL12101456 0.82 CYP17A1 (0.54) ARCYP17A1PGRNR3C2CYP3A4
SCHEMBL12437208 0.82 CYP17A1 (0.54) ARCYP17A1PGRNR3C2CYP3A4

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
US-6864248-B2 Androgenic steroid compounds and a method of making and using the same RESEARCH TRIANGLE INSTITUTE (US) 2005-03-08 — — US 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-5952319-A CONTROLLING MALE FERTILITY IN MAMMAL RESEARCH TRIANGLE INSTITUTE (US) 1999-09-14 — — 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-20020103177-A1 Androgenic steroid compounds and a method of making and using the same NR5A1, CYP17A1, SHBG AR 4/4885CYP17A1 2/4885PGR 59/4885

“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.

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