SCHEMBL4066823

SCHEMBL4066823

Cc1ccc(C(C)C(=O)O)cc1O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 5/20 0.62
TRPA1 O75762 1/20 0.62
CACNA1C Q13936 1/20 0.62
AKR1C3 P42330 13/20 0.53
AKR1C2 P52895 13/20 0.53
PTGS2 P35354 7/20 0.49
TSHR P16473 2/20 0.49
SLC22A6 Q4U2R8 2/20 0.49
CDC42 P60953 1/20 0.49
RAC1 P63000 1/20 0.49
CYP1A2 P05177 1/20 0.49
APP P05067 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
MEN1 O00255 1/20 0.46
FABP2 P12104 1/20 0.46
AKR1C4 P17516 1/20 0.46
ADRA2B P18089 1/20 0.46
CHRM3 P20309 1/20 0.46

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
SCHEMBL11218780 0.85 AKR1C3 (0.54) PTGS1AKR1C3AKR1C2PTGS2TSHR
SCHEMBL30526268 0.85 AKR1C3 (0.54) PTGS1AKR1C3AKR1C2PTGS2TSHR
SCHEMBL490579 0.84 TDP1 (0.55) PTGS1AKR1C3AKR1C2PTGS2TSHR
SCHEMBL32660739 0.84 TDP1 (0.55) PTGS1AKR1C3AKR1C2PTGS2TSHR
SCHEMBL3680291 0.84 AKR1C3 (0.57) PTGS1AKR1C3AKR1C2PTGS2TSHR
Carvacrol SCHEMBL28076902 0.83 TRPA1 (0.78) PTGS1TRPA1CACNA1CCYP3A4
SCHEMBL28183228 0.82 TDP1 (0.53) PTGS1AKR1C3AKR1C2PTGS2TSHR
SCHEMBL3840793 0.81 BLM (0.57) PTGS1TRPA1CACNA1CTSHRCYP1A2
SCHEMBL11478613 0.81 BLM (0.57) PTGS1TRPA1CACNA1CTSHRCYP1A2
Carvacrol SCHEMBL247417 0.81 TRPA1 (0.81) PTGS1TRPA1CACNA1CCYP3A4

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
EP-1666472-B1 PHENYLACETIC ACID DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE ONO PHARMACEUTICAL CO (JP) 2012-08-01 EP disclosed
US-7560475-B2 Phenylacetic acid derivative, process for producing the same, and use ONO PHARMACEUTICAL CO., LTD. (JP) 2009-07-14 US disclosed
US-20070105868-A1 Phenylacetic acid derivative, process for producing the same, and use ONO PHARMACEUTICAL CO., LTD. (JP) 2007-05-10 US disclosed
EP-1666472-A1 PHENYLACETIC ACID DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE ONO PHARMACEUTICAL CO., LTD. (JP) 2006-06-07 EP 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-20070105868-A1 Phenylacetic acid derivative, process for producing the same, and use PPARA, PPARD, PPARG PTGS1 235/4885TRPA1 901/4885CACNA1C 1827/4885

“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.