SCHEMBL4070495

SCHEMBL4070495

COC(=N)c1cccc(Cc2cc(Cl)ccc2OCC(C)C)n1

nearest known ligand 0.73

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 17/20 0.73
CYP1A2 P05177 4/20 0.51
CYP2C9 P11712 4/20 0.51
TBXA2R P21731 3/20 0.49
PTGER3 P43115 3/20 0.49
PTGS1 P23219 2/20 0.49
CYP2C19 P33261 2/20 0.49
PTGER2 P43116 2/20 0.49
PPARG P37231 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
Hydrochloric Acid SCHEMBL4163140 0.99 PTGER1 (0.72) PTGER1CYP1A2CYP2C9TBXA2RPTGER3
SCHEMBL13902737 0.87 PTGER1 (0.80) PTGER1CYP1A2CYP2C9TBXA2RPTGER3
SCHEMBL4152215 0.84 PTGER1 (1.00) PTGER1CYP1A2CYP2C9TBXA2RPTGER3
SCHEMBL13874441 0.84 PTGER1 (0.73) PTGER1CYP1A2CYP2C9TBXA2RPTGER3
SCHEMBL4067224 0.83 PTGER1 (0.82) PTGER1CYP1A2CYP2C9TBXA2RPTGER3
SCHEMBL2953318 0.83 PTGER1 (1.00) PTGER1CYP1A2CYP2C9TBXA2RPTGER3
Hydrochloric Acid SCHEMBL4074271 0.83 PTGER1 (0.72) PTGER1CYP1A2CYP2C9
SCHEMBL4076147 0.82 PTGER1 (0.74) PTGER1CYP1A2CYP2C9TBXA2RPTGER3
SCHEMBL14098775 0.82 PTGER1 (0.52) PTGER1TBXA2RPTGER3PPARG
Hydrochloric Acid SCHEMBL4164327 0.81 PTGER1 (0.73) PTGER1CYP1A2CYP2C9TBXA2RPTGER3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090099177-A1 PYRIDYL COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-04-16 US disclosed
US-20090099177-A1 PYRIDYL COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-04-16 US disclosed
EP-2013181-A1 PYRIDYL COMPOUNDS Glaxo Group Limited (GB) 2009-01-14 EP disclosed
WO-2007128752-A1 PYRIDYL COMPOUNDS GLAXO GROUP LIMITED (GB) 2007-11-15 WO 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-20090099177-A1 PYRIDYL COMPOUNDS CYP2C19, CYP4F3, C5 PTGER1 180/4885CYP1A2 24/4885CYP2C9 9/4885

“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.