SCHEMBL12239455

SCHEMBL12239455

Cc1ccc(N2C(=O)c3ccc(C=O)cc3C2=O)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.61
RAB9A P51151 3/20 0.61
NPC1 O15118 2/20 0.61
TSHR P16473 2/20 0.61
CASP1 P29466 2/20 0.61
CASP7 P55210 1/20 0.61
HSD17B10 Q99714 1/20 0.61
CA9 Q16790 3/20 0.55
CA12 O43570 2/20 0.55
CA1 P00915 2/20 0.55
CA2 P00918 1/20 0.54
POLB P06746 1/20 0.52
HPGD P15428 1/20 0.52
ESR1 P03372 3/20 0.49
ESR2 Q92731 2/20 0.49
CYP2A6 P11509 1/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
ADORA2A P29274 1/20 0.46
F2 P00734 1/20 0.46

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
SCHEMBL10707787 0.91 ESR1 (0.53) ALDH1A1RAB9ANPC1TSHRCASP1
SCHEMBL10299737 0.86 NR1H3 (0.47) ALDH1A1RAB9ANPC1TSHRCASP1
SCHEMBL10706567 0.85 ESR1 (0.70) ALDH1A1RAB9ANPC1TSHRCASP1
SCHEMBL8605222 0.85 ESR1 (0.60) ALDH1A1CASP1CASP7HSD17B10CA9
SCHEMBL17278346 0.84 BRD4 (0.54) ALDH1A1RAB9ANPC1TSHRCASP1
SCHEMBL21103300 0.83 ALDH1A1 (0.60) ALDH1A1RAB9ANPC1TSHRCASP1
SCHEMBL10299733 0.83 NR1H3 (0.47) ALDH1A1RAB9ANPC1TSHRCASP1
SCHEMBL21900445 0.83 ALDH1A1 (0.56) ALDH1A1RAB9ANPC1TSHRCASP1
SCHEMBL16602061 0.82 CA9 (0.75) ALDH1A1RAB9ANPC1TSHRCASP1
SCHEMBL16272790 0.81 MEN1 (0.45) ALDH1A1RAB9ANPC1TSHRCASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180007907-A1 PESTICIDALLY ACTIVE SEMI-CARBAZONES AND THIOSEMICARBAZONES DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2018-01-11 US disclosed
US-8039537-B2 Modified bismaleimide resins, preparation method thereof and compositions comprising the same INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2011-10-18 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-20180007907-A1 PESTICIDALLY ACTIVE SEMI-CARBAZONES AND THIOSEMICARBAZONES DERIVATIVES DDT, ACHE, CAT ALDH1A1 176/4885RAB9A 2089/4885NPC1 2503/4885

“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.