SCHEMBL8773065

SCHEMBL8773065

CC#Cc1ccc(Cl)c(C)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP1B1 Q16678 2/20 0.40
CYP3A4 P08684 2/20 0.35
AR P10275 2/20 0.34
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
CD44 P16070 1/20 0.33
MCL1 Q07820 1/20 0.33
KMT2A Q03164 2/20 0.31
TSHR P16473 2/20 0.31
PYGL P06737 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A3 Q01959 1/20 0.31
KCNH2 Q12809 1/20 0.31
NPC1 O15118 1/20 0.30
MEN1 O00255 1/20 0.30
TAS1R3 Q7RTX0 1/20 0.30
TAS1R1 Q7RTX1 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
SCHEMBL8772370 0.83 CYP3A4 (0.50) CYP1A1CYP1A2CYP1B1CYP3A4AR
SCHEMBL3817229 0.82 PYGL (0.43) CYP1A1CYP1A2CYP1B1CYP3A4TSHR
SCHEMBL19403074 0.79 ALDH1A1 (0.44) CYP1A1CYP1A2CYP1B1CYP3A4TSHR
SCHEMBL8771367 0.77 CYP1A1 (0.39) CYP1A1CYP1A2CYP1B1PYGLSLC6A2
SCHEMBL81541 0.76 MELK (0.42) MCL1KMT2APYGLSMN1; SMN2NPC1
SCHEMBL2096369 0.76 MCL1 (0.38) CYP3A4ARCD44MCL1KMT2A
SCHEMBL16952503 0.76 AR (0.35) CYP3A4ARKDM4EPOLBCD44
SCHEMBL410305 0.76 AR (0.54) ARSLC6A2SLC6A3KCNH2S1PR1
SCHEMBL8865914 0.75 ACACB (0.46) CYP1A1CYP1A2CYP1B1POLBKMT2A
SCHEMBL7996636 0.74 GRM5 (0.50) CYP1A1CYP1A2CYP1B1KMT2ATSHR

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 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.