SCHEMBL4985570

SCHEMBL4985570

O=C(O)CCc1ccc(Sc2ccc(Cl)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 10/20 0.59
KEAP1 Q14145 1/20 0.52
MAP4K4 O95819 1/20 0.48
FFAR4 Q5NUL3 2/20 0.47
LTB4R Q15722 1/20 0.47
PDPK1 O15530 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
PLAAT3 P53816 1/20 0.45
PLAAT5 Q96KN8 1/20 0.45
PLAAT2 Q9NWW9 1/20 0.45
PLAAT4 Q9UL19 1/20 0.45

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
SCHEMBL349314 0.89 FFAR1 (0.71) FFAR1KEAP1MAP4K4FFAR4PDPK1
Hydrochloric Acid SCHEMBL11045221 0.87 FFAR1 (0.69) FFAR1KEAP1MAP4K4FFAR4PDPK1
SCHEMBL4979314 0.86 PLAAT3 (0.45) FFAR1PDPK1MEN1KMT2APLAAT3
SCHEMBL1697834 0.85 FFAR1 (0.68) FFAR1KEAP1FFAR4MEN1KMT2A
SCHEMBL19914066 0.82 FFAR1 (0.65) FFAR1KEAP1FFAR4KMT2A
SCHEMBL11565077 0.81 CYP26A1 (0.51) MEN1KMT2ACA2
Alcohol SCHEMBL7860672 0.81 FFAR1 (0.63) FFAR1KEAP1MAP4K4FFAR4PDPK1
SCHEMBL4982350 0.80 CYP11B1 (0.51) FFAR1MEN1KMT2APLAAT3PLAAT5
Guanidine SCHEMBL5348315 0.80 FFAR1 (0.61) FFAR1KEAP1MAP4K4FFAR4PDPK1
SCHEMBL19914070 0.78 FFAR1 (0.59) FFAR1KEAP1FFAR4

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 FFAR1 71/4885KEAP1 878/4885MAP4K4 1913/4885

“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.