SCHEMBL4881645

SCHEMBL4881645

COC1CCC(NC(=O)C(=O)c2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 7/20 0.48
TEAD1 P28347 2/20 0.48
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
FAAH O00519 3/20 0.42
SLC6A5 Q9Y345 2/20 0.42
RAF1 P04049 1/20 0.41
CCNA2 P20248 1/20 0.40
CDK2 P24941 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
SCHEMBL4875421 0.77 TEAD1 (0.46) EPHX2TEAD1CES2CES1GAA
SCHEMBL14161881 0.77 TEAD1 (0.46) EPHX2TEAD1CES2CES1GAA
SCHEMBL7647671 0.75 RAB9A (0.59) TEAD1CES2CES1SLC6A5
SCHEMBL4882387 0.73 EPHX2 (0.69) EPHX2TEAD1SLC6A5
SCHEMBL13754009 0.71 MEN1 (0.51) ALDH1A1POLBTDP1CCNA2CDK2
SCHEMBL4880073 0.71 LMNA (0.68) EPHX2ALDH1A1GAA
SCHEMBL16570428 0.70 EPHX2 (0.72) EPHX2ALDH1A1
SCHEMBL10441841 0.70 CES2 (0.67) EPHX2CES2CES1
SCHEMBL385370 0.69 LMNA (0.60) CES2CES1ALDH1A1TDP1
SCHEMBL7652620 0.69 NPC1 (0.68)

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-20080200467-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. 2008-08-21 US disclosed
US-20080200467-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. 2008-08-21 US disclosed
US-20080200467-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. 2008-08-21 US disclosed
WO-2008073623-A2 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. (US) 2008-06-19 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-20080200467-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS EPHX1, EPHX2, NCEH1 EPHX2 2/4885TEAD1 1487/4885CES2 848/4885

“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.