SCHEMBL10001183

SCHEMBL10001183

CC(C)(C)C(=O)C(O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.61
CES1 P23141 2/20 0.61
EPHX2 P34913 1/20 0.44
TRPV1 Q8NER1 1/20 0.44
GSK3B P49841 1/20 0.42
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
GRM8 O00222 1/20 0.41
GRM4 Q14833 1/20 0.41
ACP3 P15309 1/20 0.41
FFAR1 O14842 3/20 0.40
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 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
SCHEMBL10443875 0.81 HDAC3 (0.41) CES2CES1LMNAHTT
SCHEMBL13170119 0.81 CES2 (0.65) CES2CES1EPHX2GSK3BACP3
SCHEMBL504285 0.79 CES2 (0.67) CES2CES1EPHX2GSK3BLMNA
SCHEMBL4634324 0.79 CES2 (0.67) CES2CES1EPHX2GSK3BLMNA
SCHEMBL504284 0.79 CES2 (0.67) CES2CES1EPHX2GSK3BLMNA
SCHEMBL13687637 0.78 CES2 (0.61) CES2CES1EPHX2GSK3BACP3
SCHEMBL9280967 0.77 BRD4 (0.46) LMNA
SCHEMBL7470401 0.77 CES2 (0.65) CES2CES1EPHX2GSK3BGRM8
SCHEMBL841509 0.77 CES2 (0.65) CES2CES1EPHX2GSK3BGRM8
SCHEMBL6676161 0.76 CES2 (0.59) CES2CES1EPHX2AKR1C3AKR1C2

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-8093427-B2 Construction and screening of solution-phase derived library of fenbufen and ethacrynic acid NATIONAL TSING HUA UNIVERSITY (TW) 2012-01-10 US disclosed
US-8093427-B2 Construction and screening of solution-phase derived library of fenbufen and ethacrynic acid NATIONAL TSING HUA UNIVERSITY (TW) 2012-01-10 US disclosed
US-20110306668-A1 CONSTRUCTION AND SCREENING OF SOLUTION-PHASE DERIVED LIBRARY OF FENBUFEN AND ETHACRYNIC ACID NATIONAL TSING HUA UNIVERSITY (TW) 2011-12-15 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-20110306668-A1 CONSTRUCTION AND SCREENING OF SOLUTION-PHASE DERIVED LIBRARY OF FENBUFEN AND ETHACRYNIC ACID CYP4F2, ACR, CYP4F3 CES2 13/4885CES1 180/4885EPHX2 55/4885

“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.