SCHEMBL8771367

SCHEMBL8771367

CC#Cc1ccc(Cl)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP1B1 Q16678 2/20 0.39
FFAR1 O14842 2/20 0.36
RAPGEF4 Q8WZA2 1/20 0.36
FFAR4 Q5NUL3 1/20 0.33
SLC6A4 P31645 3/20 0.33
KCNH2 Q12809 2/20 0.33
HTR2A P28223 1/20 0.33
GRM5 P41594 1/20 0.33
SLC6A3 Q01959 3/20 0.32
SLC6A2 P23975 1/20 0.32
EGFR P00533 3/20 0.30
PYGL P06737 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
SCHEMBL8772088 0.83 CYP1A1 (0.39) CYP1A1CYP1A2CYP1B1RAPGEF4EGFR
SCHEMBL8770483 0.80 GRM5 (0.47) CYP1A1CYP1A2CYP1B1FFAR1FFAR4
SCHEMBL3817229 0.80 PYGL (0.43) CYP1A1CYP1A2CYP1B1PYGL
SCHEMBL19808998 0.79 FFAR1 (0.36) FFAR1RAPGEF4FFAR4GRM5SLC6A3
SCHEMBL19781334 0.79 RAPGEF4 (0.33) FFAR1RAPGEF4FFAR4SLC6A4KCNH2
SCHEMBL20537367 0.79 SLC6A4 (0.36) FFAR1RAPGEF4FFAR4SLC6A4KCNH2
SCHEMBL8773065 0.77 CYP1A1 (0.40) CYP1A1CYP1A2CYP1B1KCNH2SLC6A3
SCHEMBL8771565 0.77 CYP1A1 (0.40) CYP1A1CYP1A2CYP1B1FFAR1FFAR4
SCHEMBL9472942 0.76 CYP2A6 (0.41) FFAR1FFAR4KCNH2
SCHEMBL21477493 0.76 CYP1A1 (0.32) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10889610-B2 Alpha-D-galactoside inhibitors of galectins GALECTO BIOTECH AB (DK) 2021-01-12 US disclosed
US-20190315793-A1 ALPHA-D-GALACTOSIDE INHIBITORS OF GALECTINS GALECTO BIOTECH AB (DK) 2019-10-17 US disclosed
WO-2012069652-A2 FUNGICIDE MIXTURES SYNGENTA PARTICIPATIONS AG (CH) 2012-05-31 WO disclosed
US-20120129875-A1 SUBSTITUTED QUINAZOLINES AS FUNGICIDES SYNGENTA CROP PROTECTION, LLC (US) 2012-05-24 US disclosed
US-20120129875-A1 SUBSTITUTED QUINAZOLINES AS FUNGICIDES SYNGENTA CROP PROTECTION, LLC (US) 2012-05-24 US disclosed
WO-2010136475-A1 SUBSTITUTED QUINAZOLINES AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2010-12-02 WO 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 (3 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-20190315793-A1 ALPHA-D-GALACTOSIDE INHIBITORS OF GALECTINS LGALS1, LGALS3, LGALS2 CYP1A1 1681/4885CYP1A2 2281/4885CYP1B1 2116/4885
US-10889610-B2 Alpha-D-galactoside inhibitors of galectins LGALS1, LGALS3, LGALS2 CYP1A1 1681/4885CYP1A2 2281/4885CYP1B1 2116/4885
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.