SCHEMBL13439643

SCHEMBL13439643

COC(C)(C)c1ccccc1C(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.42
CYP2C19 P33261 2/20 0.42
ALDH1A1 P00352 2/20 0.42
GABRA1 P14867 3/20 0.41
GABRB2 P47870 2/20 0.41
LPAR1 Q92633 1/20 0.40
GABRG2 P18507 2/20 0.38
GABRB3 P28472 2/20 0.38
FAAH O00519 2/20 0.38
CYP1A2 P05177 2/20 0.38
TSHR P16473 2/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
GABRB1 P18505 1/20 0.38
PTGS1 P23219 1/20 0.38
SLC6A2 P23975 1/20 0.38
HTR2C P28335 1/20 0.38
GABRA5 P31644 1/20 0.38

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
SCHEMBL481607 0.84 MAPK1 (0.44) CYP3A4CYP2C19ALDH1A1GABRA1GABRB2
SCHEMBL29578995 0.84 MAPK1 (0.44) CYP3A4CYP2C19ALDH1A1GABRA1GABRB2
SCHEMBL6900861 0.81 MAPK1 (0.42) ALDH1A1GABRA1GABRB2TSHRCA1
SCHEMBL29947075 0.81 MAPK1 (0.42) ALDH1A1GABRA1GABRB2TSHRCA1
SCHEMBL29449728 0.81 ALDH1A1 (0.48) CYP3A4CYP2C19ALDH1A1GABRA1GABRB2
SCHEMBL362548 0.81 ALDH1A1 (0.48) CYP3A4CYP2C19ALDH1A1GABRA1GABRB2
SCHEMBL1318694 0.81 CYP3A4 (0.41) CYP3A4CYP2C19ALDH1A1GABRA1GABRB2
SCHEMBL13408172 0.81 CYP3A4 (0.41) CYP3A4CYP2C19ALDH1A1GABRA1GABRB2
SCHEMBL6576803 0.79 GABRA1 (0.46) CYP3A4CYP2C19ALDH1A1GABRA1GABRB2
SCHEMBL29414888 0.79 GABRA1 (0.46) CYP3A4CYP2C19ALDH1A1GABRA1GABRB2

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-7674828-B2 Urea antagonists of P2Y1receptor useful in the treatment of thrombotic conditions BRISTOL-MYERS SQUIBB COMPANY (US) 2010-03-09 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-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-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 (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-20080280905-A1 UREA ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS P2RY1, P2RY11, P2RY2 CYP3A4 2358/4885CYP2C19 1162/4885ALDH1A1 1978/4885

“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.