SCHEMBL4249784

SCHEMBL4249784

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

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
GSK3B P49841 2/20 0.44
GSK3A P49840 1/20 0.44
ALDH1A1 P00352 5/20 0.43
PIN1 Q13526 1/20 0.43
PIN4 Q9Y237 1/20 0.43
POLB P06746 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TSHR P16473 1/20 0.43
KDM4E B2RXH2 4/20 0.43
MAPT P10636 2/20 0.43
KMT2A Q03164 1/20 0.43
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MITF O75030 1/20 0.40
PRKCA P17252 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL4251585 0.87 ALDH1A1 (0.47) LMNAGSK3BGSK3AALDH1A1PIN1
SCHEMBL7477852 0.82 TSHR (0.54) LMNAGSK3BGSK3AALDH1A1PIN1
SCHEMBL2824926 0.81 ALDH1A1 (0.65) LMNAGSK3BGSK3AALDH1A1PIN1
SCHEMBL13702146 0.81 KDM4E (0.44) LMNAGSK3BGSK3AALDH1A1PIN1
SCHEMBL13701796 0.80 MAPT (0.42) LMNAGSK3BGSK3AALDH1A1PIN1
SCHEMBL4250333 0.79 BRD4 (0.45) LMNAALDH1A1POLBKDM4EMAPT
SCHEMBL26104234 0.79 ALDH1A1 (0.47) LMNAGSK3BGSK3AALDH1A1PIN1
SCHEMBL118239 0.79 KMT2A (0.48) LMNAGSK3BGSK3AALDH1A1PIN1
SCHEMBL4245821 0.78 KMT2A (0.49) LMNAALDH1A1POLBL3MBTL1TSHR
SCHEMBL5693218 0.78 ALDH1A1 (0.52) LMNAGSK3BGSK3AALDH1A1PIN1

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 4 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
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 LMNA 1843/4885GSK3B 3134/4885GSK3A 3453/4885

“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.