SCHEMBL8775690

SCHEMBL8775690

CC(C)c1cccc(-c2cccc(-c3ncc4ccccc4n3)n2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.43
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
RXRG P48443 1/20 0.37
MAP4K4 O95819 1/20 0.36
CSNK1G2 P78368 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36
MAP4K5 Q9Y4K4 1/20 0.36
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
LDHB P07195 2/20 0.34
LDHA P00338 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
CDK8 P49336 1/20 0.34

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
SCHEMBL8775845 0.86 CYP1A2 (0.47) CYP1A2NPC1RAB9AMEN1KMT2A
SCHEMBL8776548 0.84 CYP1A2 (0.40) CYP1A2RXRARXRBRXRGNPC1
SCHEMBL8775191 0.82 BCHE (0.48) CYP1A2RAB9AMEN1KMT2AMAPT
SCHEMBL8776094 0.82 CYP1A2 (0.47) CYP1A2NPC1RAB9AMEN1KMT2A
SCHEMBL3784385 0.81 RAB9A (0.55) CYP1A2NPC1RAB9AMEN1KMT2A
SCHEMBL8775105 0.80 BCHE (0.48) CYP1A2MAP4K4MEN1KMT2AMAPT
SCHEMBL8775671 0.80 HSD17B1 (0.50) CYP1A2MAP4K4RAB9A
SCHEMBL3626772 0.80 CTSS (0.50) CTSSCTSKRXRARXRBRXRG
SCHEMBL8775416 0.79 CYP1A2 (0.50) CYP1A2MAP4K4CLK4NPC1RAB9A
SCHEMBL8775555 0.78 NPC1 (0.55) CYP1A2NPC1RAB9AMAPT

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 CYP1A2 18/4885CTSS 2863/4885CTSK 2829/4885

“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.