SCHEMBL13524600

SCHEMBL13524600

CC(C)c1cccc(-c2ccc(CCC(=O)O)cc2)c1

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 13/20 0.63
▸ RXRA P19793 2/20 0.61
▸ RXRB P28702 2/20 0.61
▸ RXRG P48443 2/20 0.61
▸ FFAR4 Q5NUL3 4/20 0.55
▸ AKR1B1 P15121 1/20 0.52
▸ MMP12 P39900 1/20 0.49
▸ LIPG Q9Y5X9 1/20 0.48

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
SCHEMBL15447763 0.90 FFAR1 (0.61) FFAR1RXRARXRBRXRGFFAR4
SCHEMBL13524569 0.90 FFAR1 (0.56) FFAR1RXRARXRBRXRGFFAR4
SCHEMBL19843544 0.89 FFAR1 (0.59) FFAR1RXRARXRBRXRGFFAR4
SCHEMBL13524596 0.85 RXRA (0.65) FFAR1RXRARXRBRXRG
SCHEMBL765928 0.83 KEAP1 (0.55) FFAR1RXRARXRBRXRGFFAR4
SCHEMBL1510137 0.80 FFAR1 (0.69) FFAR1RXRARXRBRXRGFFAR4
SCHEMBL25146340 0.79 FFAR4 (0.59) FFAR1FFAR4AKR1B1LIPG
SCHEMBL879572 0.79 ALDH1A1 (0.59) FFAR1FFAR4
SCHEMBL18563482 0.79 FFAR1 (0.67) FFAR1RXRARXRBRXRGFFAR4
SCHEMBL8618654 0.79 FFAR1 (1.00) FFAR1RXRARXRBRXRGFFAR4

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-7645799-B2 Substituted biaryl compounds as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-01-12 — — US disclosed
US-20090062287-A1 SUBSTITUTED BIARYL COMPOUNDS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-03-05 — — US disclosed
US-7459564-B2 Substituted biaryl compounds as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-02 — — 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-20090062287-A1 SUBSTITUTED BIARYL COMPOUNDS AS FACTOR XIA INHIBITORS TFPI, F3, F12 FFAR1 2938/4885RXRA 3455/4885RXRB 3838/4885

“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.

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