SCHEMBL8773288

SCHEMBL8773288

CC#Cc1ccc(F)c(CO)c1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP1B1 Q16678 2/20 0.40
MAPK1 P28482 1/20 0.35
MAP2K4 P45985 1/20 0.35
MAPKAPK2 P49137 1/20 0.35
MAPKAPK3 Q16644 1/20 0.35
MAPK6 Q16659 1/20 0.35
FFAR1 O14842 10/20 0.34
FFAR4 Q5NUL3 8/20 0.34
EGFR P00533 2/20 0.32
MAPT P10636 1/20 0.32
GCGR P47871 1/20 0.32

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
SCHEMBL8771783 0.85 FFAR1 (0.43) CYP1A1CYP1A2CYP1B1FFAR1FFAR4
SCHEMBL8770919 0.82 CYP1A1 (0.43) CYP1A1CYP1A2CYP1B1FFAR1MAPT
SCHEMBL8773470 0.79 CYP1A1 (0.41) CYP1A1CYP1A2CYP1B1FFAR1FFAR4
SCHEMBL8773383 0.78 CYP1A1 (0.40) CYP1A1CYP1A2CYP1B1
SCHEMBL4242913 0.77 MPO (0.43) FFAR1FFAR4
SCHEMBL8770483 0.76 GRM5 (0.47) CYP1A1CYP1A2CYP1B1FFAR1FFAR4
SCHEMBL8773234 0.76 CYP1A1 (0.41) CYP1A1CYP1A2CYP1B1FFAR1FFAR4
SCHEMBL8772677 0.74 CYP1A1 (0.40) CYP1A1CYP1A2CYP1B1FFAR1FFAR4
SCHEMBL109397 0.73 CA3 (0.48) MAPK1MAP2K4MAPKAPK2MAPKAPK3MAPK6
SCHEMBL7996636 0.72 GRM5 (0.50) CYP1A1CYP1A2CYP1B1FFAR1FFAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120129875-A1 SUBSTITUTED QUINAZOLINES AS FUNGICIDES SYNGENTA CROP PROTECTION, LLC (US) 2012-05-24 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-20120129875-A1 SUBSTITUTED QUINAZOLINES AS FUNGICIDES NAT1, NQO2, NOX1 CYP1A1 4/4885CYP1A2 18/4885CYP1B1 8/4885

“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.