SCHEMBL4985013

SCHEMBL4985013

O=C(O)/C=C/c1ccc(Sc2ccc(Cl)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G4A P47712 1/20 0.60
CYP1A2 P05177 2/20 0.58
ITGB2 P05107 1/20 0.56
ICAM1 P05362 1/20 0.56
ITGAL P20701 1/20 0.56
HCAR2 Q8TDS4 2/20 0.53
CA12 O43570 1/20 0.53
AKR1B10 O60218 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
ESR1 P03372 1/20 0.53
CA3 P07451 1/20 0.53
PKM P14618 1/20 0.53
TYR P14679 1/20 0.53
AKR1B1 P15121 1/20 0.53
CA4 P22748 1/20 0.53
CA6 P23280 1/20 0.53
DPP4 P27487 1/20 0.53
CA5A P35218 1/20 0.53
CA7 P43166 1/20 0.53

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
SCHEMBL4985018 1.00 PLA2G4A (0.60) PLA2G4ACYP1A2ITGB2ICAM1ITGAL
SCHEMBL126171 0.89 CYP1A2 (0.72) CYP1A2ITGB2ICAM1ITGALHCAR2
SCHEMBL269140 0.89 CYP1A2 (0.72) CYP1A2ITGB2ICAM1ITGALHCAR2
SCHEMBL4732055 0.89 CYP1A2 (0.72) CYP1A2ITGB2ICAM1ITGALHCAR2
Hydrochloric Acid SCHEMBL5929339 0.87 CYP1A2 (0.69) CYP1A2ITGB2ICAM1ITGALHCAR2
SCHEMBL11452510 0.87 CYP1A2 (0.69) CYP1A2ITGB2ICAM1ITGALHCAR2
Hydrochloric Acid SCHEMBL27093050 0.87 CYP1A2 (0.69) CYP1A2ITGB2ICAM1ITGALHCAR2
SCHEMBL2774769 0.85 HDAC3 (0.67) PLA2G4ACYP1A2HCAR2CA12AKR1B10
SCHEMBL2774772 0.85 HDAC3 (0.67) PLA2G4ACYP1A2HCAR2CA12AKR1B10
Methyl Alcohol SCHEMBL27319502 0.85 CYP1A2 (0.67) CYP1A2ITGB2ICAM1ITGALHCAR2

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-7348433-B2 Quinolinones as prostaglandin receptor ligands MERCK FROSST CANADA & CO. (CA) 2008-03-25 US disclosed
EP-1458718-B1 QUINOLINONES AS PROSTAGLANDIN RECEPTOR LIGANDS MERCK FROSST CANADA LTD (CA) 2006-10-25 EP disclosed
US-20050222194-A1 Quinolinones as prostaglandin receptor ligands MERCK FROSST CANADA LTD. (CA) 2005-10-06 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-20050222194-A1 Quinolinones as prostaglandin receptor ligands PTGFR, PTGER1, PTGER2 PLA2G4A 56/4885CYP1A2 251/4885ITGB2 1290/4885

“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.