SCHEMBL13680271

SCHEMBL13680271

CC(C)(C)C1=CC(=C(C#N)C#N)C=C(/C=C/c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cc2)O1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.32
MGLL Q99685 1/20 0.32
RELA Q04206 1/20 0.31
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
MAPK1 P28482 1/20 0.30
RAB9A P51151 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL990256 0.95 APP (0.33) RELAALDH1A1MAPTMAPK1RAB9A
SCHEMBL13680273 0.95 APP (0.33) RELAALDH1A1MAPTMAPK1RAB9A
SCHEMBL990255 0.95 APP (0.33) RELAALDH1A1MAPTMAPK1RAB9A
SCHEMBL13680252 0.95 APP (0.33) RELAALDH1A1MAPTMAPK1RAB9A
SCHEMBL13680263 0.88 APP (0.35) ALDH1A1MAPTMAPK1RAB9AL3MBTL1
SCHEMBL13680274 0.88 PTGS1 (0.34) CA1
SCHEMBL13680272 0.88 MAPT (0.33) MAPT
SCHEMBL13680259 0.87 RELA (0.32) RELAALDH1A1MAPT
SCHEMBL12402695 0.86 MAPT (0.32) RELAALDH1A1MAPTMAPK1L3MBTL1
SCHEMBL3725627 0.84 KDM4E (0.41) RELAALDH1A1MAPTMAPK1RAB9A

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-9012761-B2 Organic photoelectric conversion material and photoelectric conversion element using the same FUJIFILM CORPORATION (JP) 2015-04-21 US disclosed
US-20090229670-A1 ORGANIC PHOTOELECTRIC CONVERSION MATERIAL AND PHOTOELECTRIC CONVERSION ELEMENT USING THE SAME FUJIFILM CORPORATION (JP) 2009-09-17 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-20090229670-A1 ORGANIC PHOTOELECTRIC CONVERSION MATERIAL AND PHOTOELECTRIC CONVERSION ELEMENT USING THE SAME TRRAP, RARA, RARG CA1 989/4885MGLL 4791/4885RELA 939/4885

“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.