SCHEMBL13389343

SCHEMBL13389343

CC(C)c1ccccc1C=CC(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.46
▸ CYP3A4 P08684 2/20 0.46
▸ SLC6A2 P23975 2/20 0.46
▸ HTT P42858 1/20 0.46
▸ NR1I2 O75469 1/20 0.46
▸ PGR P06401 1/20 0.46
▸ ADORA3 P0DMS8 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ TBXAS1 P24557 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ DRD3 P35462 1/20 0.46
▸ OPRK1 P41145 1/20 0.46
▸ PDE4D Q08499 1/20 0.46
▸ KCNH2 Q12809 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ MAOB P27338 3/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ NFE2L2 Q16236 2/20 0.37
▸ TFEB P19484 1/20 0.37
▸ NR1H4 Q96RI1 1/20 0.36

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
SCHEMBL12680694 1.00 LMNA (0.46) LMNACYP3A4SLC6A2HTTNR1I2
SCHEMBL20824829 0.89 MAOB (0.42) LMNACYP3A4SLC6A2HTTNR1I2
SCHEMBL22848333 0.86 LMNA (0.43) LMNACYP3A4SLC6A2HTTNR1I2
SCHEMBL29671313 0.86 LMNA (0.43) LMNACYP3A4SLC6A2HTTNR1I2
SCHEMBL5474595 0.85 LMNA (0.53) LMNACYP3A4SLC6A2HTTNR1I2
SCHEMBL5474591 0.85 LMNA (0.53) LMNACYP3A4SLC6A2HTTNR1I2
SCHEMBL13299432 0.83 KDM4E (0.47) LMNAHTTCYP2C9CYP2C19L3MBTL1
SCHEMBL5457635 0.80 CA1 (0.51) LMNACYP3A4SLC6A2HTTNR1I2
SCHEMBL11833864 0.80 MAPT (0.59) LMNACYP3A4SLC6A2HTTNR1I2
SCHEMBL5468473 0.80 LMNA (0.49) LMNACYP3A4SLC6A2HTTNR1I2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100093689-A1 HETEROARYL COMPOUNDS AS P2Y1 RECEPTOR INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-04-15 — — US disclosed
US-7674828-B2 Urea antagonists of P2Y1receptor useful in the treatment of thrombotic conditions BRISTOL-MYERS SQUIBB COMPANY (US) 2010-03-09 — — US disclosed
US-7645778-B2 Heteroaryl compounds as P2Y1 receptor inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-01-12 — — US disclosed
US-20080280905-A1 UREA ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS BRISTOL MYERS SQUIBB COMPANY (US) 2008-11-13 — — US disclosed
US-7388021-B2 Urea antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions BRISTOL MYERS SQUIBB COMPANY (US) 2008-06-17 — — 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 (2 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-20100093689-A1 HETEROARYL COMPOUNDS AS P2Y1 RECEPTOR INHIBITORS P2RY1, P2RY11, P2RY2 LMNA 4237/4885CYP3A4 1506/4885SLC6A2 1659/4885
US-20080280905-A1 UREA ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS P2RY1, P2RY11, P2RY2 LMNA 3437/4885CYP3A4 2358/4885SLC6A2 2695/4885

“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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