SCHEMBL4116004

SCHEMBL4116004

CC(C)Oc1ccc(NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 7/20 0.76
ALDH1A1 P00352 3/20 0.61
HPGD P15428 1/20 0.61
FAAH O00519 1/20 0.59
GLA P06280 1/20 0.58
NPC1 O15118 1/20 0.57
RAB9A P51151 1/20 0.57
TRPV1 Q8NER1 3/20 0.56
HDAC3 O15379 1/20 0.55
HDAC4 P56524 1/20 0.55
HDAC1 Q13547 1/20 0.55
HDAC7 Q8WUI4 1/20 0.55
HDAC2 Q92769 1/20 0.55
HDAC10 Q969S8 1/20 0.55
HDAC11 Q96DB2 1/20 0.55
HDAC8 Q9BY41 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
HDAC9 Q9UKV0 1/20 0.55
HDAC5 Q9UQL6 1/20 0.55
EPHX1 P07099 1/20 0.53

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
SCHEMBL4112747 0.89 EPHX2 (0.64) EPHX2ALDH1A1HPGDFAAHNPC1
SCHEMBL11555827 0.87 EPHX2 (1.00) EPHX2ALDH1A1HPGDFAAHNPC1
SCHEMBL4118070 0.86 EPHX2 (0.78) EPHX2ALDH1A1HPGDFAAHNPC1
SCHEMBL12377315 0.83 EPHX2 (0.73) EPHX2ALDH1A1HPGDFAAHNPC1
SCHEMBL4105408 0.83 GLA (0.63) EPHX2ALDH1A1GLANPC1RAB9A
SCHEMBL4112840 0.83 GLA (0.63) EPHX2ALDH1A1GLANPC1RAB9A
SCHEMBL12584976 0.83 EPHX2 (0.83) EPHX2ALDH1A1HPGDFAAHNPC1
SCHEMBL13111204 0.82 PDE2A (0.49) EPHX2ALDH1A1GLAEPHX1MAPT
SCHEMBL12412638 0.81 EPHX2 (0.80) EPHX2ALDH1A1HPGDFAAHNPC1
SCHEMBL22103767 0.81 EPHX2 (0.86) EPHX2FAAHNPC1RAB9ATRPV1

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
US-20090239841-A1 Diaryl Ureas as CB1 Antagonists NEUROGEN CORPORATION 2009-09-24 US disclosed
US-20090239841-A1 Diaryl Ureas as CB1 Antagonists NEUROGEN CORPORATION 2009-09-24 US disclosed
US-20090239841-A1 Diaryl Ureas as CB1 Antagonists NEUROGEN CORPORATION 2009-09-24 US 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-20090239841-A1 Diaryl Ureas as CB1 Antagonists CNR1, CNR2, OPRL1 EPHX2 2394/4885ALDH1A1 994/4885HPGD 1620/4885

“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.