SCHEMBL6589491

SCHEMBL6589491

COc1ccc(C(C)(C)CC(O)(C(=O)O)C(F)(F)F)cc1Br

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
NR3C2 P08235 3/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP2D6 P10635 1/20 0.40
HPGD P15428 1/20 0.40
NR3C1 P04150 6/20 0.40
L3MBTL1 Q9Y468 1/20 0.38
CYP1A1 P04798 1/20 0.37
CYP1B1 Q16678 1/20 0.37
HTT P42858 1/20 0.37
MEN1 O00255 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPT P10636 1/20 0.37
CYP2C9 P11712 1/20 0.37
ALOX12 P18054 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
PPARA Q07869 1/20 0.36

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
SCHEMBL27505889 0.84 NR3C2 (0.41) NR3C2NR3C1
SCHEMBL6588743 0.81 NR1H4 (0.41) ALDH1A1NR3C2CYP2C19HPGDNR3C1
SCHEMBL6585333 0.81 ALDH1A1 (0.45) ALDH1A1CYP1A2CYP2C19HPGDMEN1
SCHEMBL5780730 0.78 NR3C2 (0.43) NR3C2NR3C1
SCHEMBL6826197 0.77 ALDH1A1 (0.49) ALDH1A1CYP1A2CYP2C19CYP2D6HPGD
SCHEMBL29080439 0.76 SHBG (0.43) ALDH1A1CYP1A2CYP2C19CYP2D6HPGD
SCHEMBL6589571 0.76 ALDH1A1 (0.45) ALDH1A1HTTNPSR1
SCHEMBL1775018 0.76 NR3C1 (0.67) NR3C2NR3C1
SCHEMBL1775343 0.76 NR3C1 (0.67) NR3C2NR3C1
SCHEMBL1775956 0.76 NR3C1 (0.67) NR3C2NR3C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030203902-A1 Nonsteroidal gestagens SCHERING AKTIENGESELLSCHAFT (DE) 2003-10-30 US claimed
US-20020016365-A1 Nonsteroidal gestagens SCHERING AKTIENGESELLSCHAFT (DE) 2002-02-07 US claimed
US-6245804-B1 CONTRACEPTIVES; UROGENITAL DISORDERS SCHERING AKTIENGESELLSCHAFT (DE) 2001-06-12 US claimed
EP-0986545-B1 NON-STEROIDAL (HETERO) CYCLICALLY SUBSTITUTED ACYLANILIDES WITH MIXED GESTAGEN AND ANDROGEN ACTIVITY SCHERING AG (DE) 2004-12-29 EP disclosed
US-20030203902-A1 Nonsteroidal gestagens SCHERING AKTIENGESELLSCHAFT (DE) 2003-10-30 US disclosed
US-6548534-B2 Nonsteroidal gestagens SCHERING AKTIENGESELLSCHAFT (DE) 2003-04-15 US disclosed
US-20020016365-A1 Nonsteroidal gestagens SCHERING AKTIENGESELLSCHAFT (DE) 2002-02-07 US disclosed
US-6344454-B1 CONTRACEPTIVE PREPARATIONS,TREATMENT OF ENDOMETRIOSIS, GYNECOLOGICAL DISORDERS,PREMENSTRUAL SYMPTOMS, MALE BIRTH CONTROL, MALE HRT AND HORMONE THERAPY AND FOR TREATING ANDROLOGICAL DISEASE AGENTS. SCHERING AKTIENGESELLSCHAFT (DE) 2002-02-05 US disclosed
US-6245804-B1 CONTRACEPTIVES; UROGENITAL DISORDERS SCHERING AKTIENGESELLSCHAFT (DE) 2001-06-12 US disclosed
EP-0986545-A1 NON-STEROIDAL (HETERO) CYCLICALLY SUBSTITUTED ACYLANILIDES WITH MIXED GESTAGEN AND ANDROGEN ACTIVITY SCHERING AKTIENGESELLSCHAFT (DE) 2000-03-22 EP disclosed
WO-1998054159-A1 NON-STEROIDAL (HETERO) CYCLICALLY SUBSTITUTED ACYLANILIDES WITH MIXED GESTAGEN AND ANDROGEN ACTIVITY SCHERING AKTIENGESELLSCHAFT (DE) 1998-12-03 WO 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-20020016365-A1 Nonsteroidal gestagens NR5A1, GPER1, ESR2 ALDH1A1 540/4885NR3C2 32/4885CYP1A2 190/4885
US-20030203902-A1 Nonsteroidal gestagens GPER1, NR5A1, ESR2 ALDH1A1 624/4885NR3C2 32/4885CYP1A2 190/4885

“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.