SCHEMBL6585340

SCHEMBL6585340

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

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.63
GAA P10253 2/20 0.47
POLB P06746 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.45
KMT2A Q03164 1/20 0.44
HSD11B1 P28845 1/20 0.43
TSHR P16473 3/20 0.42
HTT P42858 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
PDK1 Q15118 1/20 0.41
PDK2 Q15119 1/20 0.41
PDK3 Q15120 1/20 0.41
PDK4 Q16654 1/20 0.41

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
SCHEMBL6583851 0.85 NPSR1 (0.48) ALDH1A1POLBNPSR1SMN1; SMN2KMT2A
SCHEMBL5396329 0.85 POLB (0.60) ALDH1A1POLBNPSR1KMT2ATSHR
SCHEMBL6589228 0.82 NPSR1 (0.45) ALDH1A1POLBNPSR1TSHRHTT
SCHEMBL27524895 0.82 ALDH1A1 (0.46) ALDH1A1POLBNPSR1SMN1; SMN2TSHR
SCHEMBL3535431 0.81 CNR2 (0.45) ALDH1A1POLBNPSR1SMN1; SMN2HTT
SCHEMBL3537954 0.81 ALDH1A1 (0.53) ALDH1A1GAAPOLBNPSR1SMN1; SMN2
SCHEMBL6589571 0.81 ALDH1A1 (0.45) ALDH1A1POLBNPSR1SMN1; SMN2TSHR
SCHEMBL20325777 0.77 ALDH1A1 (0.56) ALDH1A1GAAKMT2ATSHRHTT
SCHEMBL5642117 0.77 POLB (0.48) ALDH1A1POLBNPSR1TSHRHTT
SCHEMBL7387122 0.75 ALDH1A1 (0.50) ALDH1A1GAAPOLBKMT2ATSHR

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 540/4885GAA 4792/4885POLB 2946/4885
US-20030203902-A1 Nonsteroidal gestagens GPER1, NR5A1, ESR2 ALDH1A1 624/4885GAA 4770/4885POLB 2727/4885

“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.