SCHEMBL7036459

SCHEMBL7036459

O=C1C(=O)C(C(=O)O)C(C(=O)O)c2cc3ccccc3cc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
CASP6 P55212 1/20 0.46
EDNRB P24530 11/20 0.38
EDNRA P25101 11/20 0.38
GSTP1 P09211 1/20 0.34
HSP90AA1 P07900 1/20 0.34
PAX8 Q06710 1/20 0.34
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
HIF1A Q16665 1/20 0.33
HSD17B10 Q99714 1/20 0.33
STING1 Q86WV6 1/20 0.33

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
SCHEMBL13603804 0.71 EDNRB (0.48) POLBEDNRBEDNRAKDM4EMAPT
SCHEMBL32690147 0.69 ALDH1A1 (0.40) POLBCASP6EDNRBEDNRAKDM4E
SCHEMBL10920298 0.66 POLB (0.44) POLBCASP6EDNRBEDNRAKDM4E
SCHEMBL8370389 0.66 POLB (0.38) POLBCASP6EDNRBEDNRAGSTP1
SCHEMBL5593897 0.65 POLB (0.52) POLBEDNRBEDNRATSHR
SCHEMBL71119 0.65 FGFR1 (0.50) POLBCASP6HSP90AA1KDM4EMAPT
SCHEMBL29364188 0.64 MEN1 (0.56) POLBGSTP1KDM4EMAPTTDP1
SCHEMBL30130196 0.64 MEN1 (0.56) POLBGSTP1KDM4EMAPTTDP1
SCHEMBL354514 0.64 MEN1 (0.56) POLBGSTP1KDM4EMAPTTDP1
SCHEMBL11222343 0.64 KDM4E (0.39) POLBCASP6GSTP1HSP90AA1PAX8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030082101-A1 Accelerators for increasing the rate of formation of free radicals and reactive oxygen species CAVALIER DISCOVERY 2003-05-01 US disclosed
WO-2002100478-A9 ACCELERATORS FOR INCREASING THE RATE OF FORMATION OF FREE RADICALS AND REACTIVE OXYGEN SPECIES CAVALIER DISCOVERY (US) 2003-03-27 WO disclosed
WO-2002100478-A2 ACCELERATORS FOR INCREASING THE RATE OF FORMATION OF FREE RADICALS AND REACTIVE OXYGEN SPECIES CAVALIER DISCOVERY (US) 2002-12-19 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-20030082101-A1 Accelerators for increasing the rate of formation of free radicals and reactive oxygen species SOD1, SOD3, APEX1 POLB 61/4885CASP6 511/4885EDNRB 2467/4885

“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.