SCHEMBL13524596

SCHEMBL13524596

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

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 5/20 0.65
▸ RXRB P28702 5/20 0.65
▸ RXRG P48443 4/20 0.65
▸ ABCC4 O15439 1/20 0.61
▸ LMNA P02545 1/20 0.61
▸ GAA P10253 1/20 0.61
▸ TSHR P16473 1/20 0.61
▸ PTGS1 P23219 1/20 0.61
▸ HTT P42858 1/20 0.61
▸ ALDH1A1 P00352 2/20 0.52
▸ HPGD P15428 2/20 0.52
▸ MAPT P10636 1/20 0.52
▸ THRA P10827 1/20 0.50
▸ THRB P10828 1/20 0.50
▸ PTPN5 P54829 2/20 0.49
▸ NR1H4 Q96RI1 1/20 0.49
▸ PTGS2 P35354 1/20 0.48
▸ FFAR1 O14842 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ ENPP2 Q13822 1/20 0.47

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
SCHEMBL13524594 0.86 RXRA (0.59) RXRARXRBRXRGABCC4LMNA
SCHEMBL13524600 0.85 FFAR1 (0.63) RXRARXRBRXRGFFAR1
SCHEMBL2627838 0.83 ABCC4 (0.62) RXRARXRBRXRGABCC4LMNA
SCHEMBL18427881 0.83 ABCC4 (0.80) RXRARXRBRXRGABCC4LMNA
SCHEMBL1261429 0.82 AKR1B1 (0.52) RXRARXRBRXRGLMNAGAA
SCHEMBL13524585 0.80 RXRA (0.58) RXRARXRBRXRGLMNAHTT
SCHEMBL9251496 0.80 ABCC4 (0.74) RXRARXRBRXRGABCC4LMNA
SCHEMBL23380262 0.80 THRA (0.49) RXRARXRBRXRGABCC4LMNA
SCHEMBL4601619 0.79 RXRA (1.00) RXRARXRBRXRGLMNAGAA
SCHEMBL12087753 0.79 ABCC4 (0.67) RXRARXRBRXRGABCC4LMNA

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 RXRA 3455/4885RXRB 3838/4885RXRG 4053/4885

“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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