SCHEMBL13050797

SCHEMBL13050797

CC1(C)C(/C=C/C=C/C=C/C=C2/N(Cc3ccc(CC(=O)O)cc3)c3ccc(SOOO)cc3C2(C)C)=[N+](Cc2ccc(CC(=O)O)cc2)c2ccc(S(=O)(=O)O)cc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT1 Q99873 2/20 0.38
OPRM1 P35372 1/20 0.37
OPRK1 P41145 1/20 0.37
PTPN1 P18031 1/20 0.37
ADORA1 P30542 3/20 0.37
FOLH1 Q04609 1/20 0.36
NPY4R P50391 2/20 0.36
DPP8 Q6V1X1 1/20 0.36
DPP9 Q86TI2 1/20 0.36
TLR8 Q9NR97 1/20 0.36
ADORA3 P0DMS8 1/20 0.33
ADORA2A P29274 1/20 0.33
CXCR4 P61073 1/20 0.33
HRH2 P25021 3/20 0.33
CHRM2 P08172 2/20 0.33
CHRM4 P08173 2/20 0.33
CHRM5 P08912 2/20 0.33
CHRM1 P11229 2/20 0.33
CHRM3 P20309 2/20 0.33
ADRB2 P07550 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
SCHEMBL13050799 0.97 PRMT1 (0.40) PRMT1OPRM1OPRK1PTPN1ADORA1
SCHEMBL13050795 0.94 ADORA1 (0.37) PRMT1OPRM1OPRK1PTPN1ADORA1
SCHEMBL13050796 0.94 ADORA1 (0.37) PRMT1OPRM1OPRK1PTPN1ADORA1
SCHEMBL13070158 0.91 PRMT1 (0.44) PRMT1OPRM1OPRK1PTPN1ADORA1
SCHEMBL13050800 0.91 PTPN1 (0.38) PRMT1OPRM1OPRK1PTPN1ADORA1
SCHEMBL13938200 0.85 PTPN1 (0.44) PRMT1OPRM1OPRK1PTPN1ADORA1
SCHEMBL5651416 0.84 PRMT1 (0.44) PRMT1OPRM1OPRK1PTPN1ADORA1
SCHEMBL5651412 0.84 PRMT1 (0.44) PRMT1OPRM1OPRK1PTPN1ADORA1
SCHEMBL10026433 0.82 PTPN1 (0.43) PRMT1OPRM1OPRK1PTPN1ADORA1
SCHEMBL10026430 0.82 PTPN1 (0.43) PRMT1OPRM1OPRK1PTPN1ADORA1

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-20100291706-A1 DYE CONJUGATES AND METHODS OF USE MILLIPORE CORPORATION (US) 2010-11-18 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-20100291706-A1 DYE CONJUGATES AND METHODS OF USE TYR, ABCG2, CBR3 PRMT1 1285/4885OPRM1 2943/4885OPRK1 1568/4885

“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.