SCHEMBL4251585

SCHEMBL4251585

CCOC(=O)Cn1cc(C(=O)O)ccc1=O

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
KDM4E B2RXH2 4/20 0.47
POLB P06746 3/20 0.47
MAPT P10636 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HTT P42858 1/20 0.46
GSK3A P49840 1/20 0.45
GSK3B P49841 1/20 0.45
PIN1 Q13526 1/20 0.44
PIN4 Q9Y237 1/20 0.44
LMNA P02545 2/20 0.44
KMT2A Q03164 1/20 0.44
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TSHR P16473 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
SCHEMBL4249784 0.87 LMNA (0.46) ALDH1A1KDM4EPOLBMAPTL3MBTL1
SCHEMBL2824926 0.83 ALDH1A1 (0.65) ALDH1A1KDM4EPOLBMAPTL3MBTL1
SCHEMBL13702146 0.82 KDM4E (0.44) ALDH1A1KDM4EPOLBMAPTL3MBTL1
SCHEMBL4245821 0.82 KMT2A (0.49) ALDH1A1KDM4EPOLBMAPTL3MBTL1
SCHEMBL13701796 0.81 MAPT (0.42) ALDH1A1KDM4EPOLBMAPTL3MBTL1
SCHEMBL14406967 0.81 KDM4E (0.43) ALDH1A1KDM4EPOLBMAPTL3MBTL1
SCHEMBL7477852 0.80 TSHR (0.54) ALDH1A1KDM4EPOLBMAPTHTT
SCHEMBL118239 0.80 KMT2A (0.48) ALDH1A1KDM4EPOLBMAPTL3MBTL1
SCHEMBL26104234 0.80 ALDH1A1 (0.47) ALDH1A1KDM4EPOLBMAPTL3MBTL1
SCHEMBL14407066 0.79 LMNA (0.42) ALDH1A1KDM4EPOLBMAPTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090227588-A1 Substituted pyrazole compounds useful as soluble epoxide hyrolase inhibitors FLECK ROMAN WOLFGANG 2009-09-10 US disclosed
US-20090227588-A1 Substituted pyrazole compounds useful as soluble epoxide hyrolase inhibitors FLECK ROMAN WOLFGANG 2009-09-10 US disclosed
US-20090227588-A1 Substituted pyrazole compounds useful as soluble epoxide hyrolase inhibitors FLECK ROMAN WOLFGANG 2009-09-10 US disclosed
EP-1960367-A2 SUBSTITUTED PYRAZOLE COMPOUNDS USEFUL AS SOLUBLE EPOXIDE HYDROLASE INHIBITORS Boehringer Ingelheim International GmbH (DE) 2008-08-27 EP disclosed
WO-2007067836-A2 SUBSTITUTED PYRAZOLE COMPOUNDS USEFUL AS SOLUBLE EPOXIDE HYDROLASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-06-14 WO disclosed
WO-2007067836-A2 SUBSTITUTED PYRAZOLE COMPOUNDS USEFUL AS SOLUBLE EPOXIDE HYDROLASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-06-14 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-20090227588-A1 Substituted pyrazole compounds useful as soluble epoxide hyrolase inhibitors EPHX1, EPHX2, EPX ALDH1A1 376/4885KDM4E 1988/4885POLB 1495/4885

“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.