SCHEMBL8772370

SCHEMBL8772370

CC#Cc1ccc(C)c(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.50
CYP1A1 P04798 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP1B1 Q16678 2/20 0.40
HTR3E A5X5Y0 1/20 0.37
HTR3B O95264 1/20 0.37
HTR3A P46098 1/20 0.37
HTR3D Q70Z44 1/20 0.37
HTR3C Q8WXA8 1/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
ATM Q13315 1/20 0.37
RAPGEF4 Q8WZA2 1/20 0.36
PKM P14618 1/20 0.35
GAA P10253 1/20 0.35
USP2 O75604 1/20 0.35
HSD17B10 Q99714 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL8773065 0.83 CYP1A1 (0.40) CYP3A4CYP1A1CYP1A2CYP1B1MEN1
SCHEMBL3817229 0.82 PYGL (0.43) CYP3A4CYP1A1CYP1A2CYP1B1HTR3E
SCHEMBL19403074 0.79 ALDH1A1 (0.44) CYP3A4CYP1A1CYP1A2CYP1B1ALDH1A1
SCHEMBL23843465 0.78 CYP3A4 (0.41) CYP3A4CYP1A2NPC1RAB9ARAPGEF4
SCHEMBL8306324 0.77 CA2 (0.48) CYP3A4CYP1A1CYP1A2CYP1B1HSD17B10
SCHEMBL8772088 0.77 CYP1A1 (0.39) CYP1A1CYP1A2CYP1B1MEN1NPC1
SCHEMBL25026499 0.77 CYP3A4 (0.46) CYP3A4CYP1A1CYP1A2CYP1B1NPC1
SCHEMBL79480 0.76 MELK (0.42) CYP3A4HTR3EHTR3BHTR3AHTR3D
SCHEMBL10348031 0.76 CYP3A4 (0.46) CYP3A4NPC1RAB9ARAPGEF4PKM
SCHEMBL16962134 0.76 CYP3A4 (0.46) CYP3A4HTR3EHTR3BHTR3AHTR3D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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 CYP3A4 22/4885CYP1A1 4/4885CYP1A2 18/4885

“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.