SCHEMBL9910005

SCHEMBL9910005

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

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 5/20 0.37
PSEN2 P49810 5/20 0.37
APH1B Q8WW43 5/20 0.37
NCSTN Q92542 5/20 0.37
APH1A Q96BI3 5/20 0.37
PSENEN Q9NZ42 5/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
RARB P10826 3/20 0.36
APP P05067 1/20 0.35
SMPD1 P17405 1/20 0.35
LTA4H P09960 1/20 0.34
TP53 P04637 1/20 0.33
TSHR P16473 1/20 0.33
PLA2G2A P14555 1/20 0.33
NR5A1 Q13285 1/20 0.33

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
SCHEMBL9909995 0.85 PSEN1 (0.35) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9910004 0.84 MAPT (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL22784131 0.83 MAPT (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL29761910 0.83 MAPT (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12074956 0.77 PSEN1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL16982622 0.76 RARB (0.34) CYP1A2CYP3A4CYP2D6RARBAPP
SCHEMBL16978403 0.75 ERN1 (0.35) CYP1A2CYP3A4CYP2D6RARBAPP
SCHEMBL38654832 0.74 PSEN1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9910011 0.74 RARB (0.35) CYP1A2CYP3A4CYP2D6RARBAPP
SCHEMBL12160895 0.74 RARB (0.35) CYP1A2CYP3A4CYP2D6RARBAPP

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 3 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
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.