SCHEMBL13100809

SCHEMBL13100809

CCCCCN1/C(=C/C=C2\CCC(/C=C/C3=[N+](CCCCSOOO)c4ccc(Cl)cc4C3(C)C)=C2N(C)C(=O)OC(C)(C)C)C(C)(C)c2cc(Cl)ccc21

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PRMT1 Q99873 5/20 0.42
PTPN1 P18031 1/20 0.39
PRMT5 O14744 1/20 0.39
CARM1 Q86X55 1/20 0.39
PRMT8 Q9NR22 1/20 0.39
FOLH1 Q04609 2/20 0.35
HTR1A P08908 1/20 0.34
FOLR1 P15328 4/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
TLR2 O60603 1/20 0.31
EGFR P00533 1/20 0.30
DPP8 Q6V1X1 1/20 0.30
DPP9 Q86TI2 1/20 0.30
OPRM1 P35372 1/20 0.30
OPRK1 P41145 1/20 0.30

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
SCHEMBL13100810 0.97 PRMT1 (0.43) PRMT1PTPN1PRMT5CARM1PRMT8
SCHEMBL25862037 0.94 PTPN1 (0.47) PRMT1PTPN1PRMT5CARM1PRMT8
SCHEMBL13100812 0.93 PRMT1 (0.47) PRMT1PTPN1PRMT5CARM1PRMT8
SCHEMBL13100815 0.92 HTR1A (0.34) PRMT1PTPN1PRMT5CARM1PRMT8
SCHEMBL13100811 0.92 PRMT1 (0.38) PRMT1PTPN1PRMT5CARM1PRMT8
SCHEMBL13100816 0.92 PRMT1 (0.38) PRMT1PTPN1PRMT5CARM1PRMT8
SCHEMBL13100814 0.90 PRMT1 (0.49) PRMT1PTPN1PRMT5CARM1PRMT8
SCHEMBL4753486 0.90 HTR1A (0.41) PRMT1PTPN1PRMT5CARM1PRMT8
SCHEMBL25837259 0.89 PTPN1 (0.44) PRMT1PTPN1PRMT5CARM1PRMT8
SCHEMBL13100818 0.89 PRMT1 (0.34) PRMT1PTPN1PRMT5CARM1PRMT8

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-20100274023-A1 NOVEL INTERMEDIATE COMPOUNDS FOR THE PREPARATION OF MESO-SUBSTITUTED CYANINE, MEROCYANINE AND OXONOLE DYES AGFA GRAPHICS NV (BE) 2010-10-28 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-20100274023-A1 NOVEL INTERMEDIATE COMPOUNDS FOR THE PREPARATION OF MESO-SUBSTITUTED CYANINE, MEROCYANINE AND OXONOLE DYES MB, MYADM, PYCR1 PRMT1 418/4885PTPN1 3258/4885PRMT5 80/4885

“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.