SCHEMBL13259495

SCHEMBL13259495

CCC(CC)n1c(=O)c2cc3c(=O)n(-n4c(=O)c5cc6c(=O)n(C(CC)CC)c(=O)c6cc5c4=O)c(=O)c3cc2c1=O

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.35
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
GAA P10253 1/20 0.33
SRC P12931 1/20 0.31
LTK P29376 1/20 0.30
CSNK1A1 P48729 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
SCHEMBL18914364 0.82 ALDH1A1 (0.39) ALDH1A1MEN1MAPTKMT2ANPSR1
SCHEMBL29604216 0.82 ALDH1A1 (0.50) ALDH1A1MEN1MAPTKMT2ANPSR1
SCHEMBL13259513 0.76 ALDH1A1 (0.36) ALDH1A1
SCHEMBL24060674 0.76 TDP1 (0.46) ALDH1A1MEN1MAPTKMT2AGAA
SCHEMBL24440488 0.71 ALDH1A1 (0.38) ALDH1A1NPSR1GAA
SCHEMBL24950942 0.71 TDP1 (0.41) ALDH1A1NPSR1GAALTKCSNK1A1
SCHEMBL13620532 0.68 ALDH1A1 (0.40) ALDH1A1MEN1MAPTKMT2AGAA
SCHEMBL14422045 0.68 ALDH1A1 (0.35) ALDH1A1NPSR1GAASRC
SCHEMBL3437734 0.67 ALDH1A1 (0.42) ALDH1A1MEN1MAPTKMT2AGAA
SCHEMBL13259498 0.67 ALDH1A1 (0.41) ALDH1A1MEN1MAPTKMT2ANPSR1

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
US-7763727-B2 Compound and organic electronic device using the same MITSUI CHEMICALS, INC. (JP) 2010-07-27 US disclosed
US-7763727-B2 Compound and organic electronic device using the same MITSUI CHEMICALS, INC. (JP) 2010-07-27 US disclosed
US-20070219375-A1 Novel Compound and Organic Electronic Device Using the Same MITSUI CHEMICALS, INC. (JP) 2007-09-20 US disclosed
US-20070219375-A1 Novel Compound and Organic Electronic Device Using the Same MITSUI CHEMICALS, INC. (JP) 2007-09-20 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-20070219375-A1 Novel Compound and Organic Electronic Device Using the Same OR10J3, RPS10, NOX4 ALDH1A1 1416/4885MEN1 2327/4885MAPT 2681/4885

“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.