SCHEMBL8773383

SCHEMBL8773383

CC#Cc1ccc(Cl)c(CO)c1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP1B1 Q16678 2/20 0.40
PYGL P06737 1/20 0.34
ACACB O00763 1/20 0.30
HTR2A P28223 1/20 0.30
SLC6A4 P31645 1/20 0.30
KCNH2 Q12809 1/20 0.30

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
SCHEMBL8772677 0.85 CYP1A1 (0.40) CYP1A1CYP1A2CYP1B1PYGL
SCHEMBL8770919 0.82 CYP1A1 (0.43) CYP1A1CYP1A2CYP1B1
SCHEMBL19000283 0.80 GABRP (0.37) SLC6A4
SCHEMBL8773470 0.79 CYP1A1 (0.41) CYP1A1CYP1A2CYP1B1
SCHEMBL8773288 0.78 CYP1A1 (0.40) CYP1A1CYP1A2CYP1B1
SCHEMBL16235423 0.77 VCAM1 (0.44) HTR2ASLC6A4KCNH2
SCHEMBL3817229 0.76 PYGL (0.43) CYP1A1CYP1A2CYP1B1PYGL
SCHEMBL8773234 0.76 CYP1A1 (0.41) CYP1A1CYP1A2CYP1B1
SCHEMBL15059793 0.75 PYGL (0.40) PYGLACACB
SCHEMBL8771783 0.74 FFAR1 (0.43) CYP1A1CYP1A2CYP1B1

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.