SCHEMBL4014043

SCHEMBL4014043

COC(=O)C(F)CCCCCCN(C(N)=O)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.34
ITGB1 P05556 1/20 0.31
ITGA4 P13612 1/20 0.31
MAPT P10636 1/20 0.31
NPC1 O15118 1/20 0.31
EPHX2 P34913 3/20 0.31
KMT2A Q03164 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
MC4R P32245 1/20 0.30
MC5R P33032 1/20 0.30
MC3R P41968 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL4010715 0.89 CNR2 (0.33) ALDH1A1MAPTEPHX2MC4RMC5R
SCHEMBL4010984 0.89 CNR2 (0.33) ALDH1A1MAPTEPHX2MC4RMC5R
SCHEMBL3226887 0.89 CNR2 (0.33) ALDH1A1MAPTEPHX2MC4RMC5R
SCHEMBL4012696 0.88 HDAC4 (0.37) EPHX2KMT2A
SCHEMBL4012089 0.88 EPHX2 (0.34) EPHX2
SCHEMBL4009602 0.88 LMNA (0.33) ALDH1A1MAPTEPHX2KMT2AMC4R
SCHEMBL4012362 0.86 SMN1; SMN2 (0.33) ALDH1A1MAPTNPC1EPHX2
SCHEMBL4010390 0.86 EPHX1 (0.31) ALDH1A1TSHR
SCHEMBL4012344 0.85 MAPT (0.40) ALDH1A1MAPT
SCHEMBL4012098 0.85 MAPT (0.40) ALDH1A1MAPT

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-20090247521-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS FOR THE TREATMENT OF ENDOTHELIAL DYSFUNCTION ARETE THERAPEUTICS, INC. 2009-10-01 US claimed
WO-2009086429-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. (US) 2009-07-09 WO claimed
WO-2009086426-A2 SOLUBLE EPOXIDE HYDROLASE INHIBITORS FOR THE TREATMENT OF ENDOTHELIAL DYSFUNCTION ARETE THERAPEUTICS, INC. (US) 2009-07-09 WO claimed
US-20090247521-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS FOR THE TREATMENT OF ENDOTHELIAL DYSFUNCTION ARETE THERAPEUTICS, INC. 2009-10-01 US disclosed
WO-2009086429-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. (US) 2009-07-09 WO disclosed
WO-2009086426-A2 SOLUBLE EPOXIDE HYDROLASE INHIBITORS FOR THE TREATMENT OF ENDOTHELIAL DYSFUNCTION ARETE THERAPEUTICS, INC. (US) 2009-07-09 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-20090247521-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS FOR THE TREATMENT OF ENDOTHELIAL DYSFUNCTION EPHX1, ECE1, LIPG ALDH1A1 334/4885ITGB1 4016/4885ITGA4 3446/4885

“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.