SCHEMBL6583330

SCHEMBL6583330

CC(=O)c1ccc(C(C)(C)CC(O)(C(=O)O)C(F)(F)F)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.40
EPHX2 P34913 1/20 0.39
NR1H4 Q96RI1 1/20 0.39
NR3C1 P04150 1/20 0.38
PGR P06401 1/20 0.38
NR3C2 P08235 1/20 0.38
KIF11 P52732 3/20 0.38
KMT2A Q03164 2/20 0.37
LMNA P02545 1/20 0.37
NR4A1 P22736 1/20 0.36
NR4A2 P43354 1/20 0.36
NR4A3 Q92570 1/20 0.36
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MLYCD O95822 2/20 0.35
SHBG P04278 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
NR1H3 Q13133 1/20 0.35
NR1I2 O75469 1/20 0.35

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
SCHEMBL6585240 0.87 EPHX2 (0.40) MAOBEPHX2NR1H4NR3C1PGR
SCHEMBL6582083 0.84 NR3C2 (0.49) NR3C1PGRNR3C2KMT2ALMNA
SCHEMBL6587565 0.79 MLYCD (0.43) EPHX2NR1H4NR3C1PGRNR3C2
SCHEMBL6583893 0.79 TET2 (0.38) NR3C1PGRNR3C2LMNAMAPT
SCHEMBL13898101 0.76 NR3C2 (0.48) NR3C1PGRNR3C2KMT2ALMNA
SCHEMBL6588743 0.76 NR1H4 (0.41) NR1H4NR3C1NR3C2LMNASMN1; SMN2
SCHEMBL6583154 0.76 NR3C1 (0.36) NR3C1PGRNR3C2SMN1; SMN2GAA
SCHEMBL17877682 0.73 HSD11B1 (0.51) MAOB
SCHEMBL15457758 0.73 MAOB (0.47) MAOBEPHX2NR1H4KIF11KMT2A
SCHEMBL27505889 0.72 NR3C2 (0.41) NR3C1NR3C2

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
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

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 MAOB 1190/4885EPHX2 1539/4885NR1H4 49/4885
US-20030203902-A1 Nonsteroidal gestagens GPER1, NR5A1, ESR2 MAOB 912/4885EPHX2 1180/4885NR1H4 46/4885

“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.