SCHEMBL6080655

SCHEMBL6080655

COc1cc(CCc2ccccc2)cc2c(O)c(C)c(C(=O)O)nc12

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 7/20 0.50
P2RX3 P56373 3/20 0.43
CRHBP P24387 1/20 0.40
PPARG P37231 1/20 0.40
PPARD Q03181 1/20 0.40
PPARA Q07869 1/20 0.40
CRHR2 Q13324 1/20 0.40
RNASEH1 O60930 1/20 0.40
KDM4E B2RXH2 2/20 0.39
ECE1 P42892 1/20 0.38
PDE10A Q9Y233 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
GPR35 Q9HC97 1/20 0.38
ALOX15 P16050 1/20 0.38

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
SCHEMBL6081017 0.88 GPR35 (0.39) ALOX5P2RX3PPARGPPARARNASEH1
SCHEMBL6080422 0.88 KDM4E (0.43) ALOX5KDM4EGAA
SCHEMBL6079763 0.84 PPARA (0.49) ALOX5PPARGPPARA
SCHEMBL6080252 0.83 P2RX3 (0.45) ALOX5P2RX3RNASEH1KDM4E
SCHEMBL6081306 0.82 PDE10A (0.45) KDM4EPDE10AGPR35ALOX15
SCHEMBL6080506 0.81 P2RX3 (0.43) P2RX3CRHBPCRHR2RNASEH1KDM4E
SCHEMBL6080302 0.80 GPR35 (0.44) RNASEH1KDM4EPDE10AGPR35ALOX15
SCHEMBL6080886 0.80 MAPT (0.44) RNASEH1MAPT
SCHEMBL6080942 0.79 HAO1 (0.39) KDM4EPDE10AGAAMAPTGPR35
SCHEMBL6081161 0.79 PIM1 (0.41) KDM4EGAAGPR35ALOX15

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-20060183909-A1 Compositions derived from quinoline and quinoxaline, preparation and use thereof NEURO3D (FR) 2006-08-17 US claimed
US-20060183909-A1 Compositions derived from quinoline and quinoxaline, preparation and use thereof NEURO3D (FR) 2006-08-17 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-20060183909-A1 Compositions derived from quinoline and quinoxaline, preparation and use thereof NQO1, NQO2, RECQL ALOX5 1447/4885P2RX3 465/4885CRHBP 4731/4885

“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.