SCHEMBL7083025

SCHEMBL7083025

C=Cc1ccc(CNc2ccc(O)c(C(=O)O)c2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 4/20 0.69
PPARA Q07869 2/20 0.64
STING1 Q86WV6 1/20 0.64
ALDH1A1 P00352 3/20 0.56
NOX4 Q9NPH5 2/20 0.56
EGFR P00533 2/20 0.56
LCK P06239 2/20 0.56
MAPT P10636 2/20 0.56
TDP1 Q9NUW8 2/20 0.56
RGS12 O14924 1/20 0.56
CAMKK2 Q96RR4 1/20 0.56
KLKB1 P03952 1/20 0.46
CTSB P07858 1/20 0.46
MMP9 P14780 1/20 0.46
DNMT1 P26358 1/20 0.46
DNMT3B Q9UBC3 1/20 0.46
DNMT3L Q9UJW3 1/20 0.46
DNMT3A Q9Y6K1 1/20 0.46
PTPN1 P18031 2/20 0.45
PTPN2 P17706 1/20 0.45

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
SCHEMBL7530660 0.89 KDM4C (0.54) KDM4CPPARASTING1ALDH1A1NOX4
SCHEMBL611490 0.83 KDM4C (0.76) KDM4CPPARASTING1ALDH1A1NOX4
SCHEMBL29532272 0.83 KDM4C (0.76) KDM4CPPARASTING1ALDH1A1NOX4
SCHEMBL609562 0.82 PPARA (0.92) KDM4CPPARASTING1ALDH1A1NOX4
SCHEMBL607997 0.82 KDM4C (0.74) KDM4CPPARASTING1ALDH1A1NOX4
SCHEMBL29388557 0.82 KDM4C (0.74) KDM4CPPARASTING1ALDH1A1NOX4
SCHEMBL29391100 0.82 PPARA (0.92) KDM4CPPARASTING1ALDH1A1NOX4
SCHEMBL31227881 0.81 PPARA (0.80) KDM4CPPARASTING1ALDH1A1NOX4
SCHEMBL31227771 0.81 PPARA (0.80) KDM4CPPARASTING1ALDH1A1NOX4
SCHEMBL10811982 0.79 KDM4C (0.70) KDM4CPPARASTING1ALDH1A1NOX4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030031715-A1 Pharmaceutical applications of hydrotropic agents, polymers thereof, and hydrogels thereof PURDUE RESEARCH FOUNDATION 2003-02-13 US disclosed
WO-2002030466-A2 PHARMACEUTICAL APPLICATIONS OF HYDROTROPIC AGENTS, POLYMERS THEREOF, AND HYDROGELS THEREOF PURDUE RESEARCH FOUNDATION (US) 2002-04-18 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-20030031715-A1 Pharmaceutical applications of hydrotropic agents, polymers thereof, and hydrogels thereof HMGB2, HTT, ABCG2 KDM4C 4811/4885PPARA 960/4885STING1 4527/4885

“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.