SCHEMBL9910012

SCHEMBL9910012

[C-]#[N+]/C(=C\c1cc2c(s1)-c1sc(-c3ccc(N(c4ccc(OCCCCCC)cc4)c4ccc(OCCCCCC)cc4)cc3)cc1[Si]2(CCCCCC)CCCCCC)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RARB P10826 3/20 0.36
TP53 P04637 1/20 0.33
TSHR P16473 1/20 0.33
PLA2G4B P0C869 5/20 0.33
PTPN11 Q06124 3/20 0.32
PLA2G4A P47712 1/20 0.32
SMPD1 P17405 1/20 0.31
PTGES O14684 1/20 0.31
MMP9 P14780 1/20 0.31
MMP8 P22894 1/20 0.31
MMP13 P45452 1/20 0.31

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
SCHEMBL9909997 0.89 RARB (0.32) RARBTP53PLA2G4A
SCHEMBL9910011 0.84 RARB (0.35) RARBTP53TSHRPLA2G4B
SCHEMBL9910010 0.77 CYP1A2 (0.35) RARBTP53TSHR
SCHEMBL29895977 0.74 APP (0.40) TP53TSHRPTGES
SCHEMBL9909996 0.71 RARB (0.32) RARBTP53PLA2G4BPLA2G4A
SCHEMBL14646292 0.70 PTGES (0.45) RARBTP53TSHRPLA2G4BPTPN11
SCHEMBL11988121 0.70 KDM4E (0.43) RARBTP53TSHRPLA2G4BPLA2G4A
SCHEMBL12408311 0.69 RARB (0.35) RARBTP53TSHRPLA2G4BPTPN11
SCHEMBL9910001 0.69 PTGES (0.43) RARBTP53TSHRPLA2G4BPTGES
SCHEMBL11957027 0.69 PTPN11 (0.33) TP53TSHRPLA2G4BPTPN11PLA2G4A

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 1160/4885TP53 2678/4885TSHR 4552/4885

“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.