SCHEMBL4879965

SCHEMBL4879965

COC(=O)CCCCCCCCCCCNC(=O)C(O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.49
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
LMNA P02545 1/20 0.42
HDAC1 Q13547 5/20 0.40
HDAC6 Q9UBN7 4/20 0.40
HDAC3 O15379 2/20 0.39
MLYCD O95822 1/20 0.39
HDAC8 Q9BY41 2/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
TACR1 P25103 1/20 0.38

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
SCHEMBL4881753 0.86 NAAA (0.52) NAAACES2CES1HDAC1HDAC6
SCHEMBL4870358 0.81 HRH3 (0.43) LMNAHDAC1HDAC6HDAC3HDAC8
SCHEMBL9394477 0.75 TACR1 (0.59) NAAAMLYCDTACR1
SCHEMBL1233006 0.75 DRD2 (0.55) HDAC1HDAC6HDAC3HDAC8HDAC2
SCHEMBL1233008 0.75 DRD2 (0.55) HDAC1HDAC6HDAC3HDAC8HDAC2
SCHEMBL14555980 0.74 SCN8A (0.51) HDAC1HDAC6HDAC3HDAC8HDAC2
SCHEMBL28191870 0.72 HDAC1 (0.57) NAAAHDAC1HDAC6HDAC3HDAC8
SCHEMBL1233128 0.71 CYP3A4 (0.63) NAAALMNA
SCHEMBL1884141 0.71 ALDH1A1 (0.64) LMNAHDAC1HDAC6HDAC3
SCHEMBL1566692 0.71 CES2 (0.59) CES2CES1

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 NAAA 223/4885CES2 848/4885CES1 18/4885

“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.