SCHEMBL9910000

SCHEMBL9910000

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

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RARB P10826 3/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
PLA2G4B P0C869 3/20 0.33
APP P05067 1/20 0.33
TP53 P04637 1/20 0.33
TSHR P16473 1/20 0.33
NR5A1 Q13285 1/20 0.33
MMP2 P08253 1/20 0.33
ESR1 P03372 2/20 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
SCHEMBL9910768 0.96 APP (0.39) RARBPLA2G4BAPPTP53TSHR
SCHEMBL9909996 0.85 RARB (0.32) RARBCYP1A2CYP3A4CYP2D6PLA2G4B
SCHEMBL14335749 0.85 RARB (0.37) RARBCYP1A2CYP3A4CYP2D6PLA2G4B
SCHEMBL9910001 0.84 PTGES (0.43) RARBPLA2G4BAPPTP53TSHR
SCHEMBL22784130 0.82 PTGES (0.43) RARBPLA2G4BAPPTP53TSHR
SCHEMBL22770695 0.80 RARB (0.35) RARBCYP1A2CYP3A4CYP2D6TP53
SCHEMBL22770709 0.80 S1PR1 (0.33) RARB
SCHEMBL31684373 0.80 S1PR1 (0.33) RARB
SCHEMBL9910011 0.79 RARB (0.35) RARBCYP1A2CYP3A4CYP2D6PLA2G4B
SCHEMBL12160895 0.79 RARB (0.35) RARBCYP1A2CYP3A4CYP2D6PLA2G4B

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 RARB 1160/4885CYP1A2 1178/4885CYP3A4 313/4885

“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.