SCHEMBL13439637

SCHEMBL13439637

CCCC(O)(CCC)c1ccccc1C(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.41
CYP2C19 P33261 2/20 0.41
ALDH1A1 P00352 1/20 0.41
GABRA1 P14867 3/20 0.41
GABRB2 P47870 2/20 0.41
GABRG2 P18507 2/20 0.38
GABRB3 P28472 2/20 0.38
TSHR P16473 2/20 0.38
SLC6A2 P23975 2/20 0.38
FAAH O00519 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
HPGD P15428 1/20 0.38
GABRB1 P18505 1/20 0.38
PTGS1 P23219 1/20 0.38
HTR2C P28335 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 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
SCHEMBL13439674 0.85 CYP3A4 (0.44) CYP3A4CYP2C19ALDH1A1GABRA1GABRB2
Hydrogen Peroxide SCHEMBL30787525 0.80 CYP3A4 (0.41) CYP3A4CYP2C19ALDH1A1GABRA1GABRB2
SCHEMBL12680692 0.75 CYP3A4 (0.40) CYP3A4CYP2C19ALDH1A1GABRA1GABRB2
SCHEMBL12680688 0.75 ALDH1A1 (0.45) CYP3A4CYP2C19ALDH1A1GABRA1GABRB2
SCHEMBL3369244 0.74 CYP3A4 (0.61) CYP3A4CYP2C19ALDH1A1GABRA1GABRB2
SCHEMBL16579953 0.74 CYP3A4 (0.51) CYP3A4CYP2C19ALDH1A1GABRA1GABRB2
SCHEMBL631669 0.73 CNR1 (0.37) CYP3A4CYP2C19ALDH1A1TSHRCYP1A2
SCHEMBL19209998 0.73 CNR1 (0.33) CYP2C19ALDH1A1CYP1A2CNR1CNR2
Hydrogen Peroxide SCHEMBL8837965 0.72 CYP3A4 (0.59) CYP3A4CYP2C19ALDH1A1GABRA1GABRB2
SCHEMBL31328394 0.72 GABRA1 (0.34) CYP2C19ALDH1A1GABRA1GABRB2SLC6A2

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-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-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.