SCHEMBL6589571

SCHEMBL6589571

CCOC(=O)C(O)(CC(C)(C)c1ccc(Br)c(OC)c1)C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
POLB P06746 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
CNR2 P34972 4/20 0.40
HTT P42858 1/20 0.38
TSHR P16473 2/20 0.37
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 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
SCHEMBL27524895 0.87 ALDH1A1 (0.46) ALDH1A1POLBNPSR1SMN1; SMN2CNR2
SCHEMBL3535431 0.86 CNR2 (0.45) ALDH1A1POLBNPSR1SMN1; SMN2CNR2
SCHEMBL6583851 0.82 NPSR1 (0.48) ALDH1A1POLBNPSR1SMN1; SMN2HTT
SCHEMBL6585340 0.81 ALDH1A1 (0.63) ALDH1A1POLBNPSR1SMN1; SMN2HTT
SCHEMBL3535607 0.80 ALDH1A1 (0.45) ALDH1A1POLBNPSR1
SCHEMBL3539111 0.80 ALDH1A1 (0.45) ALDH1A1POLBNPSR1CNR2HTT
SCHEMBL3536820 0.77 ALDH1A1 (0.46) ALDH1A1POLBNPSR1CNR2
SCHEMBL5396329 0.76 POLB (0.60) ALDH1A1POLBNPSR1HTTTSHR
SCHEMBL6589491 0.76 ALDH1A1 (0.41) ALDH1A1NPSR1HTT
SCHEMBL5642117 0.76 POLB (0.48) ALDH1A1POLBNPSR1HTTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 540/4885POLB 2946/4885NPSR1 60/4885
US-20030203902-A1 Nonsteroidal gestagens GPER1, NR5A1, ESR2 ALDH1A1 624/4885POLB 2727/4885NPSR1 51/4885

“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.