SCHEMBL13236752

SCHEMBL13236752

CCCCOc1ccc(C(CC(=O)OCC)c2cccc(C(F)(F)F)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.53
PPARG P37231 2/20 0.50
PPARA Q07869 2/20 0.50
PTGES O14684 1/20 0.50
ALOX5 P09917 1/20 0.50
FFAR1 O14842 4/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MAPK1 P28482 1/20 0.45
ALDH1A1 P00352 2/20 0.43
HTT P42858 1/20 0.43
LTB4R2 Q9NPC1 1/20 0.42
GAA P10253 2/20 0.42
KDM4E B2RXH2 1/20 0.42
CYP2D6 P10635 3/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
TSHR P16473 1/20 0.42
CYP2C19 P33261 1/20 0.42
CACNA1B Q00975 2/20 0.41

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
SCHEMBL2947157 0.89 FAAH (0.57) FAAHPPARGPPARAPTGESALOX5
SCHEMBL13236841 0.89 FFAR1 (0.50) FAAHPPARGPPARAPTGESALOX5
SCHEMBL11275789 0.88 CACNA2D1 (0.48) FFAR1SMN1; SMN2HTTLTB4R2KDM4E
SCHEMBL11294199 0.86 MAPK1 (0.47) FAAHFFAR1SMN1; SMN2MAPK1LTB4R2
SCHEMBL13236755 0.85 TACR1 (0.44) FFAR1SMN1; SMN2ALDH1A1GAACYP1A2
SCHEMBL13236672 0.85 SMN1; SMN2 (0.56) FAAHFFAR1SMN1; SMN2MAPK1
SCHEMBL13236679 0.83 SMN1; SMN2 (0.53) FFAR1SMN1; SMN2MAPK1TSHR
SCHEMBL13236829 0.82 POLB (0.50) SMN1; SMN2MAPK1ALDH1A1
SCHEMBL13236687 0.82 LMNA (0.55) FAAHSMN1; SMN2MAPK1TSHR
SCHEMBL13236684 0.82 LMNA (0.55) FAAHSMN1; SMN2MAPK1TSHR

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-7750048-B2 GPR40 agonists JANSSEN PHARMACEUTICA NV (BE) 2010-07-06 US disclosed
US-7750048-B2 GPR40 agonists JANSSEN PHARMACEUTICA NV (BE) 2010-07-06 US disclosed
US-20080176912-A1 GPR40 AGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2008-07-24 US disclosed
US-20080176912-A1 GPR40 AGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2008-07-24 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-20080176912-A1 GPR40 AGONISTS GPR119, GPR65, GPR55 FAAH 600/4885PPARG 22/4885PPARA 41/4885

“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.