SCHEMBL13680273

SCHEMBL13680273

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

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.33
RELA Q04206 1/20 0.33
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
RAB9A P51151 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
SLC16A3 O15427 1/20 0.31
SLC16A1 P53985 1/20 0.31
CTDSP1 Q9GZU7 1/20 0.30
HDAC6 Q9UBN7 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
SCHEMBL13680252 1.00 APP (0.33) APPRELAALDH1A1MAPTMAPK1
SCHEMBL990256 1.00 APP (0.33) APPRELAALDH1A1MAPTMAPK1
SCHEMBL990255 1.00 APP (0.33) APPRELAALDH1A1MAPTMAPK1
SCHEMBL13680271 0.95 CA1 (0.32) RELAALDH1A1MAPTMAPK1RAB9A
SCHEMBL13680263 0.93 APP (0.35) APPALDH1A1MAPTMAPK1RAB9A
SCHEMBL13680272 0.93 MAPT (0.33) APPMAPT
SCHEMBL12402695 0.91 MAPT (0.32) RELAALDH1A1MAPTMAPK1L3MBTL1
SCHEMBL13680274 0.91 PTGS1 (0.34)
SCHEMBL13680259 0.90 RELA (0.32) RELAALDH1A1MAPT
SCHEMBL13680267 0.89 RELA (0.35) APPRELAALDH1A1MAPTMAPK1

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 APP 4017/4885RELA 939/4885ALDH1A1 891/4885

“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.