SCHEMBL9910768

SCHEMBL9910768

CCCCCCOc1ccc(N(c2ccccc2)c2ccc(-c3cc4c(s3)-c3sc(C=O)cc3C4(CCCCCC)CCCCCC)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.39
RARB P10826 3/20 0.35
PLA2G4B P0C869 4/20 0.35
LTA4H P09960 1/20 0.34
MAPT P10636 2/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33
TP53 P04637 1/20 0.33
TSHR P16473 1/20 0.33
POLB P06746 1/20 0.33
FAAH O00519 2/20 0.32
PTPN11 Q06124 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
SCHEMBL9910000 0.96 RARB (0.35) APPRARBPLA2G4BTP53TSHR
SCHEMBL13021443 0.84 APP (0.57) APPMAPTALDH1A1
SCHEMBL9910001 0.83 PTGES (0.43) APPRARBPLA2G4BMAPTTP53
SCHEMBL9909996 0.82 RARB (0.32) RARBPLA2G4BMAPTGAATP53
SCHEMBL14335749 0.82 RARB (0.37) RARBPLA2G4BALDH1A1HTTTP53
SCHEMBL22784130 0.81 PTGES (0.43) APPRARBPLA2G4BMAPTTP53
SCHEMBL16541337 0.79 MAPT (0.33) APPMAPT
SCHEMBL22770695 0.78 RARB (0.35) RARBMAPTALDH1A1HTTTP53
SCHEMBL13021437 0.77 MAPT (0.32) APPMAPT
SCHEMBL22770709 0.77 S1PR1 (0.33) RARBMAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 APP 2879/4885RARB 1160/4885PLA2G4B 4590/4885

“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.