SCHEMBL6837182

SCHEMBL6837182

CC(Oc1ccc(CCC(=O)O)cc1-c1ccc2c(cnn2C)c1)c1ccccc1C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.50
AR P10275 3/20 0.45
S1PR1 P21453 5/20 0.44
S1PR5 Q9H228 3/20 0.44
S1PR3 Q99500 2/20 0.44
PLK1 P53350 8/20 0.43
NEK2 P51955 5/20 0.43
AURKA O14965 1/20 0.43
CDK2 P24941 1/20 0.43
TTK P33981 1/20 0.43
FFAR1 O14842 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
PLK3 Q9H4B4 1/20 0.40
CTSA P10619 1/20 0.39

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
SCHEMBL3883128 0.87 FFAR1 (0.47) TRPA1ARS1PR1S1PR5S1PR3
SCHEMBL3884459 0.83 TRPA1 (0.51) TRPA1ARS1PR1S1PR5S1PR3
SCHEMBL3686723 0.79 FFAR4 (0.53) ARFFAR1FFAR4
SCHEMBL3882141 0.79 S1PR1 (0.45) ARS1PR1S1PR5S1PR3FFAR4
SCHEMBL3882621 0.78 FFAR4 (0.46) TRPA1ARS1PR1S1PR5S1PR3
SCHEMBL3880966 0.77 FFAR1 (0.45) S1PR1S1PR5S1PR3FFAR1FFAR4
SCHEMBL3888350 0.76 THRA (0.44) ARS1PR1FFAR4
SCHEMBL3883636 0.76 FFAR4 (0.46) ARS1PR1S1PR5FFAR1FFAR4
SCHEMBL3883084 0.76 FFAR4 (0.46) TRPA1ARFFAR1FFAR4
SCHEMBL3884003 0.75 TP53 (0.51) ARFFAR1FFAR4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040044258-A1 Substituted phenylalkanoic acid derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2004-03-04 US claimed

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-20040044258-A1 Substituted phenylalkanoic acid derivatives and use thereof PTGER1, CYSLTR1, PTGS1 TRPA1 135/4885AR 630/4885S1PR1 77/4885

“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.