SCHEMBL3655854

SCHEMBL3655854

O=C(CC1CCCCC1)NC1CCCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 8/20 1.00
HPGD P15428 3/20 1.00
KMT2A Q03164 2/20 1.00
LMNA P02545 1/20 0.58
SMN1; SMN2 Q16637 3/20 0.57
ALDH1A1 P00352 2/20 0.57
NPSR1 Q6W5P4 1/20 0.55
NPC1 O15118 3/20 0.54
RAB9A P51151 3/20 0.54
MEN1 O00255 1/20 0.54
CYP3A4 P08684 2/20 0.54
EPHX2 P34913 2/20 0.54
MAPT P10636 1/20 0.54
KDM4E B2RXH2 1/20 0.54
CYP2C19 P33261 1/20 0.50

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
SCHEMBL22055470 1.00 EPHX1 (1.00) EPHX1HPGDKMT2ALMNASMN1; SMN2
SCHEMBL21442929 1.00 EPHX1 (1.00) EPHX1HPGDKMT2ALMNASMN1; SMN2
SCHEMBL24490081 1.00 EPHX1 (1.00) EPHX1HPGDKMT2ALMNASMN1; SMN2
SCHEMBL24574267 1.00 EPHX1 (1.00) EPHX1HPGDKMT2ALMNASMN1; SMN2
SCHEMBL16437128 0.98 EPHX1 (0.96) EPHX1HPGDKMT2ALMNASMN1; SMN2
SCHEMBL27192692 0.96 EPHX1 (0.92) EPHX1HPGDKMT2ALMNASMN1; SMN2
SCHEMBL22813414 0.89 EPHX1 (0.80) EPHX1HPGDKMT2ALMNASMN1; SMN2
SCHEMBL1698332 0.88 EPHX1 (0.79) EPHX1HPGDKMT2ALMNASMN1; SMN2
SCHEMBL6473627 0.87 EPHX1 (0.76) EPHX1HPGDKMT2ALMNASMN1; SMN2
SCHEMBL1698397 0.87 EPHX1 (0.76) EPHX1HPGDKMT2ALMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2188263-A1 BENZIMIDAZOLE DERIVATIVES USED AS FXR AGONISTS F. Hoffmann-Roche AG (CH) 2010-05-26 EP claimed
WO-2009027264-A1 BENZIMIDAZOLE DERIVATIVES USED AS FXR AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-03-05 WO claimed
CN-110404073-B Methods and pharmaceutical compositions for treating hepatitis B virus infection 国家医疗保健研究所 2022-08-16 CN disclosed
US-8815951-B2 Inhibitors of epoxide hydrolases for the treatment of inflammation THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-08-26 US disclosed
US-8815951-B2 Inhibitors of epoxide hydrolases for the treatment of inflammation THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-08-26 US disclosed
US-20110245331-A1 INHIBITORS OF EPOXIDE HYDROLASES FOR THE TREATMENT OF HYPERTENSION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-10-06 US disclosed
US-20110245331-A1 INHIBITORS OF EPOXIDE HYDROLASES FOR THE TREATMENT OF HYPERTENSION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-10-06 US disclosed
EP-2188263-A1 BENZIMIDAZOLE DERIVATIVES USED AS FXR AGONISTS F. Hoffmann-Roche AG (CH) 2010-05-26 EP disclosed
WO-2009027264-A1 BENZIMIDAZOLE DERIVATIVES USED AS FXR AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-03-05 WO disclosed
US-20070117782-A1 INHIBITORS OF EPOXIDE HYDROLASES FOR THE TREATMENT OF INFLAMMATION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-05-24 US disclosed
US-20070117782-A1 INHIBITORS OF EPOXIDE HYDROLASES FOR THE TREATMENT OF INFLAMMATION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-05-24 US disclosed
US-3968211-A Compositions and methods of use of amidines for anti-arrhythmic purposes THE UPJOHN COMPANY (US) 1976-07-06 US 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-20110245331-A1 INHIBITORS OF EPOXIDE HYDROLASES FOR THE TREATMENT OF HYPERTENSION EPHX1, EPHX2, NCEH1 EPHX1 1/4885HPGD 40/4885KMT2A 2538/4885
US-20070117782-A1 INHIBITORS OF EPOXIDE HYDROLASES FOR THE TREATMENT OF INFLAMMATION EPHX1, LTA4H, PTGS1 EPHX1 1/4885HPGD 51/4885KMT2A 3356/4885

“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.