SCHEMBL4639773

SCHEMBL4639773

O=C(NCCC(c1ccccc1)c1ccccc1)c1ccccc1O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.66
NPSR1 Q6W5P4 3/20 0.62
HDAC7 Q8WUI4 1/20 0.61
ALDH1A1 P00352 4/20 0.59
HPGD P15428 4/20 0.59
HSD17B10 Q99714 3/20 0.59
TSHR P16473 2/20 0.59
MAPT P10636 2/20 0.59
NPC1 O15118 1/20 0.59
HTT P42858 1/20 0.59
NLRP1 Q9C000 1/20 0.59
MTNR1A P48039 1/20 0.58
MTNR1B P49286 1/20 0.58
CNR1 P21554 3/20 0.57
CNR2 P34972 2/20 0.57
NAAA Q02083 1/20 0.55
KDM4E B2RXH2 2/20 0.54
LMNA P02545 2/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54

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
SCHEMBL20490389 0.88 HDAC7 (0.63) EPHX2NPSR1HDAC7ALDH1A1HPGD
SCHEMBL20490330 0.84 HDAC7 (0.58) EPHX2NPSR1HDAC7ALDH1A1HPGD
SCHEMBL31119120 0.82 HTT (0.69) NPSR1HDAC7ALDH1A1HPGDHSD17B10
SCHEMBL31119121 0.82 HTT (0.69) NPSR1HDAC7ALDH1A1HPGDHSD17B10
SCHEMBL5707054 0.82 HTT (0.69) NPSR1HDAC7ALDH1A1HPGDHSD17B10
SCHEMBL5947909 0.81 EPHX2 (0.64) EPHX2NPSR1ALDH1A1HPGDMAPT
Hydrochloric Acid SCHEMBL15769882 0.81 HTT (0.67) NPSR1HDAC7ALDH1A1HPGDHSD17B10
SCHEMBL8346286 0.81 HTT (0.67) NPSR1HDAC7ALDH1A1HPGDHSD17B10
SCHEMBL20490824 0.80 NPSR1 (0.49) EPHX2NPSR1HDAC7ALDH1A1HPGD
SCHEMBL5948102 0.80 EPHX2 (1.00) EPHX2NPSR1ALDH1A1HPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1885697-A2 SOLUBLE EPOXIDE HYDROLASE INHIBITORS AND METHODS OF USING SAME BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-02-13 EP disclosed
US-20060276515-A1 Soluble Epoxide Hydrolase Inhibitors and Methods of Using Same BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-12-07 US disclosed
WO-2006121719-A2 SOLUBLE EPOXIDE HYDROLASE INHIBITORS AND METHODS OF USING SAME BOEHRINGER INGELHEIM INTERNATIONAL, GMBH (DE) 2006-11-16 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 (1 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-20060276515-A1 Soluble Epoxide Hydrolase Inhibitors and Methods of Using Same EPHX1, EPHX2, NCEH1 EPHX2 2/4885NPSR1 3713/4885HDAC7 3059/4885

“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.