SCHEMBL5653731

SCHEMBL5653731

COC(=O)c1ccc(CN2/C(=C\C=C\C=C\C3=[N+](Cc4ccc(C(=O)OC)cc4)c4ccc(S(=O)(=O)O)cc4C3(C)C)C(C)(C)c3cc(S(=O)(=O)O)ccc32)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 3/20 0.41
PRMT1 Q99873 2/20 0.41
PTPN1 P18031 1/20 0.41
NPY4R P50391 2/20 0.40
FOLH1 Q04609 1/20 0.40
OPRM1 P35372 1/20 0.40
OPRK1 P41145 1/20 0.40
TLR8 Q9NR97 1/20 0.40
DPP8 Q6V1X1 1/20 0.39
DPP9 Q86TI2 1/20 0.39
ADRB2 P07550 1/20 0.37
HTR1A P08908 1/20 0.37
ADORA3 P0DMS8 2/20 0.37
ADORA2A P29274 1/20 0.37
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL5653734 1.00 ADORA1 (0.41) ADORA1PRMT1PTPN1NPY4RFOLH1
SCHEMBL5651412 0.92 PRMT1 (0.44) ADORA1PRMT1PTPN1NPY4RFOLH1
SCHEMBL5651416 0.92 PRMT1 (0.44) ADORA1PRMT1PTPN1NPY4RFOLH1
SCHEMBL13070158 0.88 PRMT1 (0.44) ADORA1PRMT1PTPN1NPY4RFOLH1
SCHEMBL13050796 0.84 ADORA1 (0.37) ADORA1PRMT1PTPN1NPY4RFOLH1
SCHEMBL13050795 0.84 ADORA1 (0.37) ADORA1PRMT1PTPN1NPY4RFOLH1
SCHEMBL13050797 0.82 PRMT1 (0.38) ADORA1PRMT1PTPN1NPY4RFOLH1
SCHEMBL1709073 0.81 MEN1 (0.42) ADORA1PRMT1PTPN1NPY4RFOLH1
SCHEMBL12602395 0.81 PRMT1 (0.53) ADORA1PRMT1PTPN1FOLH1OPRK1
SCHEMBL13050800 0.81 PTPN1 (0.38) ADORA1PRMT1PTPN1NPY4RFOLH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060257917-A1 FLUORESCENT DYES, ENERGY TRANSFER COUPLES AND METHODS MILLIPORE CORPORATION 2006-11-16 US disclosed
US-7091348-B2 Fluorescent dyes, energy transfer couples and methods GUAVA TECHNOLOGIES, INC. (US) 2006-08-15 US disclosed
EP-1539728-A2 FLUORESCENT DYES, ENERGY TRANSFER COUPLES AND METHODS Guava Technologies, Inc. (US) 2005-06-15 EP disclosed
US-20040073014-A1 Fluorescent dyes, energy transfer couples and methods EMD MILLIPORE CORPORATION 2004-04-15 US disclosed
WO-2004003510-A2 FLUORESCENT DYES, ENERGY TRANSFER COUPLES AND METHODS GUAVA TECHNOLOGIES, INC. (US) 2004-01-08 WO 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-20060257917-A1 FLUORESCENT DYES, ENERGY TRANSFER COUPLES AND METHODS TIMM50, TIMM44, APEX1 ADORA1 4133/4885PRMT1 2167/4885PTPN1 4848/4885

“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.