SCHEMBL9909995

SCHEMBL9909995

CCCCCCOc1ccc(N(c2ccc(OCCCCCC)cc2)c2ccc(-c3cc4c(s3)c3sc(/C=C(/C)C#N)cc3n4CCCCCC)cc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 4/20 0.35
PSEN2 P49810 4/20 0.35
APH1B Q8WW43 4/20 0.35
NCSTN Q92542 4/20 0.35
APH1A Q96BI3 4/20 0.35
PSENEN Q9NZ42 4/20 0.35
MAPT P10636 2/20 0.34
APP P05067 1/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
HTT P42858 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PTGES O14684 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
RARB P10826 3/20 0.32
NR5A1 Q13285 1/20 0.32
SMPD1 P17405 1/20 0.32

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
SCHEMBL9910004 0.89 MAPT (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL22784131 0.88 MAPT (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL29761910 0.88 MAPT (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9910005 0.85 PSEN1 (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL15077487 0.73 MAPT (0.41) MAPTAPPALDH1A1HTTL3MBTL1
SCHEMBL16982633 0.71 MAPT (0.48) MAPTAPPPTGESRARBPLA2G4B
SCHEMBL16982621 0.71 MAPT (0.48) MAPTAPPPTGESRARBPLA2G4B
SCHEMBL29444967 0.71 PTGES (0.40) MAPTAPPPTGES
SCHEMBL38654832 0.70 PSEN1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL23772548 0.70 APP (0.43) MAPTAPPKDM4EALDH1A1HPGD

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-8586764-B2 Organic dyes and preparation method thereof and dye-sensitized solar cells China National Academy of Nanotechnology and Engineering (CN) 2013-11-19 US disclosed
US-20120138133-A1 ORGANIC DYES AND PREPARATION METHOD THEREOF AND DYE-SENSITIZED SOLAR CELLS China National Academy of Nanotechnology and Engineering (CN) 2012-06-07 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-20120138133-A1 ORGANIC DYES AND PREPARATION METHOD THEREOF AND DYE-SENSITIZED SOLAR CELLS UROD, TYR, DDT PSEN1 3728/4885PSEN2 3804/4885APH1B 3003/4885

“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.