SCHEMBL5632079

SCHEMBL5632079

COC(=O)C(Cc1ccccc1)Cc1cc2cc(O)ccc2[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PYGL P06737 3/20 0.48
BACE1 P56817 1/20 0.46
MC4R P32245 1/20 0.43
MC5R P33032 1/20 0.43
MC3R P41968 1/20 0.43
MIF P14174 1/20 0.43
SRC P12931 1/20 0.43
SMAD3 P84022 1/20 0.42
ALOX5 P09917 1/20 0.42
PDGFRB P09619 2/20 0.41
FLT3 P36888 2/20 0.41
PDGFRA P16234 1/20 0.41
KDM4E B2RXH2 3/20 0.41
MDM4 O15151 1/20 0.41
MDM2 Q00987 1/20 0.41
ALDH1A1 P00352 2/20 0.40
PKM P14618 1/20 0.40
GRIN2D O15399 1/20 0.40
GRIN3B O60391 1/20 0.40
GRIN1 Q05586 1/20 0.40

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
SCHEMBL853406 0.86 KDM4E (0.58) PYGLPDGFRBFLT3PDGFRAKDM4E
SCHEMBL853186 0.84 FLT3 (0.40) PYGLBACE1SMAD3PDGFRBFLT3
SCHEMBL30718327 0.81 FLT3 (0.44) PYGLBACE1SRCSMAD3PDGFRB
SCHEMBL29131170 0.81 FLT3 (0.44) PYGLBACE1SRCSMAD3PDGFRB
SCHEMBL852594 0.81 FLT3 (0.44) PYGLBACE1SRCSMAD3PDGFRB
SCHEMBL853672 0.79 KDM4E (0.54) PYGLPDGFRBFLT3PDGFRAKDM4E
SCHEMBL5632081 0.77 NPSR1 (0.55) MIFKDM4EALDH1A1MEN1LMNA
SCHEMBL853304 0.75 KDM4E (0.58) PYGLPDGFRBFLT3PDGFRAKDM4E
SCHEMBL853405 0.75 XDH (0.41) PYGLPDGFRBFLT3PDGFRAKDM4E
SCHEMBL6203738 0.73 F2 (0.62) BACE1SRCSMAD3ALOX5PDGFRB

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-20070219233-A1 Antitumor, antiinflammatory, antiarthritic agents, treating metastasis, restenosis, osteoporosis, macular degeneration, and diabetic retinopathy; 7-(2-{1-[1-(3-Benzyloxy-phenyl)-2-ethoxycarbonyl-vinyl]-1H-indol-5-yloxy}-ethyl)-3,4-dihydro-2H-[1,8]naphthyridine-1-carboxylic acid tert-butyl ester LU TIANBO 2007-09-20 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-20070219233-A1 Antitumor, antiinflammatory, antiarthritic agents, treating metastasis, restenosis, osteoporosis, macular degeneration, and diabetic retinopathy; 7-(2-{1-[1-(3-Benzyloxy-phenyl)-2-ethoxycarbonyl-vinyl]-1H-indol-5-yloxy}-ethyl)-3,4-dihydro-2H-[1,8]naphthyridine-1-carboxylic acid tert-butyl ester ITGA5, ADGRE5, ITGAV PYGL 4003/4885BACE1 669/4885MC4R 40/4885

“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.