SCHEMBL697832

SCHEMBL697832

C[CH]OC(=O)OC1CCC1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.37
NAAA Q02083 2/20 0.35
HTT P42858 1/20 0.33
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP9 P14780 1/20 0.32
MMP12 P39900 1/20 0.32
CYP2C19 P33261 1/20 0.32
CA12 O43570 2/20 0.31
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
CA9 Q16790 2/20 0.31
ALDH1A1 P00352 1/20 0.30
ALOX15 P16050 1/20 0.30
TSHR P16473 1/20 0.30
HSD17B10 Q99714 1/20 0.30
CYP19A1 P11511 2/20 0.30
SERPINE1 P05121 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
SCHEMBL305154 0.96 EPHX1 (0.41) EPHX1NAAAHTTMMP1MMP9
SCHEMBL73234 0.94 EPHX1 (0.44) EPHX1NAAAHTTMMP1MMP9
SCHEMBL1439730 0.94 EPHX1 (0.44) EPHX1NAAAHTTMMP1MMP9
SCHEMBL8693054 0.91
SCHEMBL73777 0.82 KAT2B (0.36)
SCHEMBL1568468 0.80 CYP19A1 (0.44) EPHX1NAAACYP19A1
SCHEMBL5163942 0.78 EPHX1 (0.50) EPHX1NAAAHTTMMP1MMP2
SCHEMBL8693865 0.78 EPHX1 (0.42) EPHX1NAAAHTTCYP2C19CYP19A1
SCHEMBL8691006 0.75 NAAA (0.41) EPHX1NAAAHTTCYP2C19ALDH1A1
SCHEMBL698655 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-7592362-B2 Substituted imidazoles PFIZER LIMITED (GB) 2009-09-22 US disclosed
US-7547718-B2 Substituted imidazoles PFIZER LIMITED (GB) 2009-06-16 US disclosed
US-7544706-B2 Substituted imidazoles PFIZER LIMITED (GB) 2009-06-09 US disclosed
EP-1981853-A1 SUBSTITUTED IMIDAZOLES AND THEIR USE AS PESTICIDES Pfizer Limited (GB) 2008-10-22 EP disclosed
WO-2007083207-A1 SUBSTITUTED IMIDAZOLES AND THEIR USE AS PESTICIDES PFIZER LIMITED (GB) 2007-07-26 WO disclosed
US-20070167506-A1 SUBSTITUTED IMIDAZOLES PFIZER INC. (US) 2007-07-19 US disclosed
US-5827863-A Pyrazole derivatives as angiotensin II antagonists J. URIACH & CIA, S.A. (ES) 1998-10-27 US disclosed
EP-0721454-A1 NEW PYRAZOLE DERIVATIVES AS ANGIOTENSIN II ANTAGONIST J. URIACH & CIA. S.A. (ES) 1996-07-17 EP disclosed
WO-1996004273-A1 NEW PYRAZOLE DERIVATIVES AS ANGIOTENSIN II ANTAGONIST J. URIACH & CIA, S.A. (ES) 1996-02-15 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
EP-0200692-B1 ANDROSTANE-17-BETA-CARBOXYLIC-ACID ESTERS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOUND CONTAINING THEM Aktiebolaget Draco (SE) 1991-09-11 EP disclosed
US-4804656-A ANTIINFLAMMATORY AGENTS AKTIEBOLAGET DRACO (SE) 1989-02-14 US disclosed
EP-0200692-A1 Androstane-17-beta-carboxylic-acid esters, process for their preparation and pharmaceutical compound containing them Aktiebolaget Draco (SE) 1986-11-05 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 (3 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 1428/4885NAAA 1565/4885HTT 1110/4885
US-20070167506-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 EPHX1 1428/4885NAAA 1565/4885HTT 1110/4885
US-20100041712-A1 SUBSTITUTED IMIDAZOLE COMBINATIONS ING2, IGFBP2, IGFBP1 EPHX1 4182/4885NAAA 2421/4885HTT 3979/4885

“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.