SCHEMBL2641279

SCHEMBL2641279

CC(NC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4NC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C)(c1ccccc1)C(F)(F)F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 19/20 1.00
SRD5A2 P31213 8/20 1.00
LMNA P02545 2/20 0.73
CYP3A4 P08684 2/20 0.73
CYP2C9 P11712 2/20 0.73
CYP2C19 P33261 2/20 0.73
ABCC4 O15439 1/20 0.73
ABCB11 O95342 1/20 0.73
ADORA3 P0DMS8 1/20 0.73
CHRM1 P11229 1/20 0.73
HSD3B1 P14060 1/20 0.73
NFKB1 P19838 1/20 0.73
MAPK1 P28482 1/20 0.73
THPO P40225 1/20 0.73
BLM P54132 1/20 0.73

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
SCHEMBL2641280 1.00 SRD5A1 (1.00) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL7519255 1.00 SRD5A1 (1.00) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL2639525 1.00 SRD5A1 (1.00) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL7520592 0.93 SRD5A1 (0.86) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL7520589 0.93 SRD5A1 (0.86) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL7523351 0.91 SRD5A1 (1.00) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL8794553 0.91 SRD5A1 (0.85) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL8794566 0.91 SRD5A1 (0.85) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL7523345 0.91 SRD5A1 (1.00) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL9022562 0.90 SRD5A1 (0.81) SRD5A1SRD5A2LMNACYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250100986-A1 BISPHENOL DERIVATIVES AND THEIR USE AS ANDROGEN RECEPTOR ACTIVITY MODULATORS THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2025-03-27 US claimed
US-20240391883-A1 HETEROCYCLIC COMPOUNDS FOR CANCER IMAGING AND TREATMENT AND METHODS FOR THEIR USE THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2024-11-28 US claimed
EP-4446301-A2 HETEROCYCLIC COMPOUNDS FOR CANCER IMAGING AND TREATMENT AND METHODS FOR THEIR USE British Columbia Cancer Agency Branch (CA) 2024-10-16 EP claimed
EP-3988541-B1 HETEROCYCLIC COMPOUNDS FOR CANCER IMAGING AND TREATMENT AND METHODS FOR THEIR USE BRITISH COLUMBIA CANCER AGENCY BRANCH (CA) 2024-06-26 EP claimed
EP-3442942-B1 BISPHENOL DERIVATIVES AND THEIR USE AS ANDROGEN RECEPTOR ACTIVITY MODULATORS BRITISH COLUMBIA CANCER AGENCY BRANCH (CA) 2023-11-15 EP claimed
US-20220267283-A1 HETEROCYCLIC COMPOUNDS FOR CANCER IMAGING AND TREATMENT AND METHODS FOR THEIR USE THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2022-08-25 US claimed
US-20220220558-A1 METHODS AND SYSTEMS FOR PROGNOSIS OF A PATIENT'S RESPONSE TO TREATMENT OF ANDROGENETIC SKIN DISORDERS GOREN ANDY OFER (US) 2022-07-14 US claimed
US-11345670-B2 Heterocyclic compounds for cancer imaging and treatment and methods for their use THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2022-05-31 US claimed
EP-3988541-A1 HETEROCYCLIC COMPOUNDS FOR CANCER IMAGING AND TREATMENT AND METHODS FOR THEIR USE British Columbia Cancer Agency Branch (CA) 2022-04-27 EP claimed
US-20170056336-A1 CO-TARGETING ANDROGEN RECEPTOR SPLICE VARIANTS AND MTOR SIGNALING PATHWAY FOR THE TREATMENT OF CASTRATION-RESISTANT PROSTATE CANCER NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-03-02 US claimed
US-20160068466-A1 ESTER DERIVATIVES OF ANDROGEN RECEPTOR MODULATORS AND METHODS FOR THEIR USE THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2016-03-10 US claimed
US-9173939-B2 Ester derivatives of androgen receptor modulators and methods for their use THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2015-11-03 US claimed
EP-0970105-B1 PROCESS FOR PREPARING CARBOXAMIDO-4-AZASTEROIDS PHARMACIA & UPJOHN SPA (IT) 2002-02-27 EP claimed
EP-0970105-A1 PROCESS FOR PREPARING CARBOXAMIDO-4-AZASTEROIDS PHARMACIA & UPJOHN S.p.A. (IT) 2000-01-12 EP claimed
WO-1999035161-A1 PROCESS FOR PREPARING CARBOXAMIDO-4-AZASTEROIDS PHARMACIA & UPJOHN SPA (IT) 1999-07-15 WO claimed
JP-H10506411-A 1998-06-23 JP claimed
EP-0607400-B1 Fluorinated 17-beta substituted-4-aza-5-alpha- andostran-3one derivatives. PHARMACIA & UPJOHN SPA (IT) 1997-11-05 EP claimed
EP-0782582-A1 EPIMERS OF (22RS)-N-(1,1,1-TRIFLUORO-2-PHENYLPROP-2-YL)-3-OXO-4-AZA-5$g(a)-ANDROST-1-ENE-17$g(b)-CARBOXAMIDE PHARMACIA & UPJOHN S.p.A. (IT) 1997-07-09 EP claimed
WO-1997004002-A1 EPIMERS OF (22RS)-N-(1,1,1-TRIFLUORO-2-PHENYLPROP-2-YL)-3-OXO-4-AZA-5α-ANDROST-1-ENE-17β-CARBOXAMIDE PHARMACIA & UPJOHN S.P.A. (IT) 1997-02-06 WO claimed
WO-1994003475-A1 FLUORINATED 17β-SUBSTITUTED 4-AZA-5α-ANDROSTAN-3-ONE DERIVATIVES FARMITALIA CARLO ERBA S.R.L. (IT) 1994-02-17 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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-20250100986-A1 BISPHENOL DERIVATIVES AND THEIR USE AS ANDROGEN RECEPTOR ACTIVITY MODULATORS AR, SHBG, NR5A1 SRD5A1 17/4885SRD5A2 29/4885LMNA 1844/4885
US-20240391883-A1 HETEROCYCLIC COMPOUNDS FOR CANCER IMAGING AND TREATMENT AND METHODS FOR THEIR USE AR, KLK3, GNRHR SRD5A1 10/4885SRD5A2 42/4885LMNA 1234/4885
US-11345670-B2 Heterocyclic compounds for cancer imaging and treatment and methods for their use AR, KLK3, GNRHR SRD5A1 10/4885SRD5A2 42/4885LMNA 1234/4885
US-20220267283-A1 HETEROCYCLIC COMPOUNDS FOR CANCER IMAGING AND TREATMENT AND METHODS FOR THEIR USE AR, KLK3, GNRHR SRD5A1 10/4885SRD5A2 42/4885LMNA 1234/4885
US-20160068466-A1 ESTER DERIVATIVES OF ANDROGEN RECEPTOR MODULATORS AND METHODS FOR THEIR USE AR, ESRRA, KLK3 SRD5A1 36/4885SRD5A2 42/4885LMNA 1651/4885
US-20170056336-A1 CO-TARGETING ANDROGEN RECEPTOR SPLICE VARIANTS AND MTOR SIGNALING PATHWAY FOR THE TREATMENT OF CASTRATION-RESISTANT PROSTATE CANCER AR, MTOR, RICTOR SRD5A1 65/4885SRD5A2 126/4885LMNA 3637/4885

“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.