SCHEMBL6582083

SCHEMBL6582083

CC(C)(CC(O)(C(=O)O)C(F)(F)F)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 4/20 0.49
NR3C1 P04150 3/20 0.49
PGR P06401 3/20 0.49
CYP2C19 P33261 1/20 0.42
HIF1A Q16665 1/20 0.42
TAAR1 Q96RJ0 1/20 0.41
PDK1 Q15118 2/20 0.40
PDK2 Q15119 2/20 0.40
PDK3 Q15120 2/20 0.40
PDK4 Q16654 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 2/20 0.39
KMT2A Q03164 1/20 0.39
HSD11B1 P28845 1/20 0.38
S1PR4 O95977 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
S1PR1 P21453 1/20 0.38
NR1H2 P55055 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
SCHEMBL13898101 0.88 NR3C2 (0.48) NR3C2NR3C1PGRCYP2C19HIF1A
SCHEMBL6583330 0.84 MAOB (0.40) NR3C2NR3C1PGRMAPTKMT2A
SCHEMBL3533561 0.84 KCNN4 (0.49) NR3C2NR3C1PGRNPSR1POLB
SCHEMBL6585240 0.83 EPHX2 (0.40) NR3C2NR3C1PGRCYP2C19POLB
SCHEMBL6587565 0.82 MLYCD (0.43) NR3C2NR3C1PGRPDK1PDK2
SCHEMBL6583893 0.82 TET2 (0.38) NR3C2NR3C1PGRNPSR1MAPT
SCHEMBL6687762 0.82 NR3C1 (0.64) NR3C2NR3C1PGRCYP2C19PDK1
SCHEMBL5396329 0.82 POLB (0.60) NR3C2NR3C1PGRNPSR1POLB
SCHEMBL6583154 0.81 NR3C1 (0.36) NR3C2NR3C1PGRCYP2C19PDK1
SCHEMBL4133085 0.78 CYP2C19 (0.47) NR3C2NR3C1PGRCYP2C19HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100445272-C Non-steroidal (hetero) cyclically substd. acylanilides with mixed gestagen and androgen activity SCHERING AG (DE) 2008-12-24 CN disclosed
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
CN-1258286-A Non-steroidal (hetero) cyclically substd. acylanilides with mixed gestagen and androgen activity SCHERING AG (DE) 2000-06-28 CN 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 NR3C2 32/4885NR3C1 25/4885PGR 9/4885
US-20030203902-A1 Nonsteroidal gestagens GPER1, NR5A1, ESR2 NR3C2 32/4885NR3C1 30/4885PGR 9/4885

“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.