SCHEMBL8773470

SCHEMBL8773470

CC#Cc1ccc(C)c(CO)c1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP1B1 Q16678 2/20 0.41
SHBG P04278 1/20 0.36
HPGD P15428 1/20 0.33
S1PR1 P21453 1/20 0.32
PKM P14618 1/20 0.31
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31
FFAR1 O14842 1/20 0.30
FFAR4 Q5NUL3 1/20 0.30
MAPT P10636 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
SCHEMBL8773234 0.85 CYP1A1 (0.41) CYP1A1CYP1A2CYP1B1SHBGS1PR1
SCHEMBL8770919 0.84 CYP1A1 (0.43) CYP1A1CYP1A2CYP1B1PDE4APDE4B
SCHEMBL8773383 0.79 CYP1A1 (0.40) CYP1A1CYP1A2CYP1B1
SCHEMBL8773288 0.79 CYP1A1 (0.40) CYP1A1CYP1A2CYP1B1FFAR1FFAR4
SCHEMBL8436238 0.78 CYP2A6 (0.41) SHBGFFAR1FFAR4
SCHEMBL8772677 0.76 CYP1A1 (0.40) CYP1A1CYP1A2CYP1B1FFAR1FFAR4
SCHEMBL8771783 0.76 FFAR1 (0.43) CYP1A1CYP1A2CYP1B1FFAR1FFAR4
SCHEMBL19403074 0.74 ALDH1A1 (0.44) CYP1A1CYP1A2CYP1B1
SCHEMBL792457 0.71 ALDH1A1 (0.52) SHBGHPGDMAPT
SCHEMBL698730 0.71 SHBG (0.41) SHBGHPGDS1PR1

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.