SCHEMBL4589523

SCHEMBL4589523

CCCCCCC(=O)O[C@H]1CC[C@H]2[C@H]3[C@H]([C@@H](C)C[C@]12C)[C@H]1CCC(=O)C=C1C[C@H]3C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 6/20 1.00
▸ LMNA P02545 4/20 0.62
▸ MAPT P10636 4/20 0.62
▸ CYP19A1 P11511 6/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ ESR1 P03372 1/20 0.40
▸ PGR P06401 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ ADORA3 P0DMS8 1/20 0.40
▸ CHRM1 P11229 1/20 0.40
▸ TBXA2R P21731 1/20 0.40
▸ PTGS1 P23219 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ PDE3A Q14432 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ USP2 O75604 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL7110493 1.00 AR (1.00) ARLMNAMAPTCYP19A1KMT2A
SCHEMBL25863260 1.00 AR (1.00) ARLMNAMAPTCYP19A1KMT2A
SCHEMBL7111536 1.00 AR (1.00) ARLMNAMAPTCYP19A1KMT2A
SCHEMBL25863256 1.00 AR (1.00) ARLMNAMAPTCYP19A1KMT2A
SCHEMBL25863258 1.00 AR (1.00) ARLMNAMAPTCYP19A1KMT2A
SCHEMBL12355412 1.00 AR (1.00) ARLMNAMAPTCYP19A1KMT2A
SCHEMBL2249046 1.00 AR (1.00) ARLMNAMAPTCYP19A1KMT2A
SCHEMBL25863521 0.96 AR (0.93) ARLMNAMAPTCYP19A1KMT2A
SCHEMBL25863642 0.96 AR (0.93) ARLMNAMAPTCYP19A1KMT2A
SCHEMBL25863523 0.96 AR (0.93) ARLMNAMAPTCYP19A1KMT2A

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-1042352-B1 ANDROGENIC STEROID COMPOUNDS AND A METHOD OF MAKING AND USING THE SAME RES TRIANGLE INST (US) 2007-07-25 — — EP claimed
US-20040097477-A1 Androgenic steroid compounds and a method of making and using the same RESEARCH TRIANGLE INSTITUTE (US) 2004-05-20 — — US claimed
US-20020103177-A1 Androgenic steroid compounds and a method of making and using the same COOK C EDGAR (US) 2002-08-01 — — US claimed
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 claimed
US-20020002156-A1 ANDROGENIC STEROID COMPOUNDS AND A METHOD OF MAKING AND USING THE SAME COOK C EDGAR (US) 2002-01-03 — — US claimed
US-5952319-A CONTROLLING MALE FERTILITY IN MAMMAL RESEARCH TRIANGLE INSTITUTE (US) 1999-09-14 — — US claimed
US-7361645-B2 Androgenic 7-substituted 11-halogen steroids BAYER SCHERING PHARMA AG (DE) 2008-04-22 — — US disclosed
EP-1353938-B1 ANDROGENIC 7-SUBSTITUTED 11-HALOGENATED STEROIDS BAYER SCHERING PHARMA AG (DE) 2008-02-13 — — EP disclosed
US-20070298456-A1 Microbiological process for the production of 7-substitued 11-hydroxy steroids, 7,17-substituted 11-halogen steroids, and uses thereof ZORN LUDWIG 2007-12-27 — — US disclosed
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-20050075322-A1 Androgenic 7-substituted 11-halogen steroids BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2005-04-07 — — US disclosed
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-20040097477-A1 Androgenic steroid compounds and a method of making and using the same RESEARCH TRIANGLE INSTITUTE (US) 2004-05-20 — — 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-20020002156-A1 ANDROGENIC STEROID COMPOUNDS AND A METHOD OF MAKING AND USING THE SAME COOK C EDGAR (US) 2002-01-03 — — 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 (4 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 AR 4/4885LMNA 1964/4885MAPT 4047/4885
US-20050075322-A1 Androgenic 7-substituted 11-halogen steroids NR5A1, HSD17B11, HSD11B1 AR 16/4885LMNA 2482/4885MAPT 4298/4885
US-20040097477-A1 Androgenic steroid compounds and a method of making and using the same NR5A1, CYP17A1, SHBG AR 4/4885LMNA 1964/4885MAPT 4047/4885
US-20020103177-A1 Androgenic steroid compounds and a method of making and using the same NR5A1, CYP17A1, SHBG AR 4/4885LMNA 1964/4885MAPT 4047/4885

“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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