SCHEMBL695835

SCHEMBL695835

[CH2]COC(=O)OC1CCCC1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.41
HTT P42858 1/20 0.41
NAAA Q02083 2/20 0.39
CYP2C19 P33261 1/20 0.39
CYP19A1 P11511 4/20 0.36
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
MMP1 P03956 1/20 0.31
MMP9 P14780 1/20 0.31
MMP12 P39900 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
FABP7 O15540 1/20 0.30
FABP5 Q01469 1/20 0.30
STS P08842 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL1439733 0.98 EPHX1 (0.44) EPHX1HTTNAAACYP2C19CYP19A1
SCHEMBL188404 0.98 EPHX1 (0.44) EPHX1HTTNAAACYP2C19CYP19A1
SCHEMBL697833 0.96 EPHX1 (0.37) EPHX1HTTNAAACYP2C19CYP19A1
SCHEMBL9034845 0.91
SCHEMBL5245472 0.83 EPHX1 (0.39) EPHX1HTTNAAACYP2C19CYP19A1
SCHEMBL1497921 0.82 L3MBTL1 (0.35) L3MBTL1
SCHEMBL8579936 0.82 EPHX1 (0.42) EPHX1HTTNAAACYP2C19CYP19A1
SCHEMBL1559459 0.82 EPHX1 (0.42) EPHX1HTTNAAACYP2C19CYP19A1
SCHEMBL4314580 0.80 NAAA (0.39) EPHX1HTTNAAACYP2C19CYP19A1
SCHEMBL17625372 0.80 EPHX1 (0.42) EPHX1HTTNAAACYP2C19CYP19A1

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 49 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3313851-A1 NEW HYDROXYESTER DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Les Laboratoires Servier (FR) 2018-05-02 EP disclosed
WO-2016207225-A1 NEW HYDROXYESTER DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LES LABORATOIRES SERVIER (FR) 2016-12-29 WO disclosed
EP-2423199-A1 Substituted imidazoles and their use as pesticides Pfizer Limited (GB) 2012-02-29 EP disclosed
EP-2320732-A2 SUBSTITUTED IMIDAZOLE COMBINATIONS Pfizer Inc. (US) 2011-05-18 EP disclosed
US-7825149-B2 Substituted imidazoles PFIZER LIMITED (GB) 2010-11-02 US disclosed
WO-2010020896-A2 SUBSTITUTED IMIDAZOLE COMBINATIONS PFIZER INC. (US) 2010-02-25 WO disclosed
US-20100041712-A1 SUBSTITUTED IMIDAZOLE COMBINATIONS PFIZER INC. (US) 2010-02-18 US disclosed
US-20090312326-A1 SUBSTITUTED IMIDAZOLES PFIZER LIMITED (GB) 2009-12-17 US disclosed
WO-2009136965-A1 COMPOSITIONS AND METHODS COMPRISING CAPURAMYCIN ANALOGUES SEQUELLA, INC. (US) 2009-11-12 WO disclosed
US-7592362-B2 Substituted imidazoles PFIZER LIMITED (GB) 2009-09-22 US disclosed
WO-1999054290-A1 INHIBITORS OF NEURAMINIDASES ABBOTT LABORATORIES (US) 1999-10-28 WO disclosed
WO-1999054299-A1 PYRROLIDINES AS INHIBITORS OF NEURAMINIDASES ABBOTT LABORATORIES (US) 1999-10-28 WO disclosed
EP-0763053-A4 STEROID DERIVATIVES FOR TREATMENT OF 5 ALPHA REDUCTASE SMITHKLINE BEECHAM CORP (US) 1998-09-09 EP disclosed
EP-0763053-A1 STEROID DERIVATIVES FOR TREATMENT OF 5 ALPHA REDUCTASE SMITHKLINE BEECHAM CORPORATION (US) 1997-03-19 EP disclosed
EP-0721454-A1 NEW PYRAZOLE DERIVATIVES AS ANGIOTENSIN II ANTAGONIST J. URIACH & CIA. S.A. (ES) 1996-07-17 EP disclosed
WO-1995033761-A1 STEROID DERIVATIVES FOR TREATMENT OF 5 ALPHA REDUCTASE SMITHKLINE BEECHAM CORPORATION (US) 1995-12-14 WO disclosed
US-5475114-A Angiotensin-11 antagonist; therapeutical agent used for treating hypertension and chronic heart failure YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1995-12-12 US disclosed
EP-0646584-A1 PYRAZOLOTRIAZOLE DERIVATIVE YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1995-04-05 EP disclosed
US-5091382-A CEPHALOSPORIN DERIVATIVES HOECHST AKTIENGESELLSCHAFT (DE) 1992-02-25 US disclosed
EP-0337637-A1 2-(Heterocyclylthio)carbapenem derivatives their preparation and their use as antibiotics Sankyo Company Limited (JP) 1989-10-18 EP 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-20090312326-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 EPHX1 1428/4885HTT 1110/4885NAAA 1565/4885
US-20100041712-A1 SUBSTITUTED IMIDAZOLE COMBINATIONS ING2, IGFBP2, IGFBP1 EPHX1 4182/4885HTT 3979/4885NAAA 2421/4885

“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.