SCHEMBL25836945

SCHEMBL25836945

COc1ccc(C2=CC(=O)[C@H](O)CC2=O)cc1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.35
KDM4E B2RXH2 2/20 0.35
MAPT P10636 1/20 0.35
PDGFRB P09619 1/20 0.35
PDGFRA P16234 1/20 0.35
PTGS1 P23219 1/20 0.34
FFAR1 O14842 1/20 0.34
GRIN1 Q05586 2/20 0.34
GRIN2B Q13224 2/20 0.34
ALOX15 P16050 1/20 0.34
GRK6 P43250 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
POLL Q9UGP5 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
SCHEMBL25835354 0.79 BACE1 (0.50) KDM4EMAPTGAASMN1; SMN2ALDH1A1
SCHEMBL25835356 0.77 HDAC4 (0.46) GAAALDH1A1
SCHEMBL25835385 0.73 L3MBTL1 (0.46) PTGS2KDM4EMAPTPOLLALDH1A1
SCHEMBL25835355 0.71 PTPRC (0.35) MAPTGAASMN1; SMN2ALDH1A1
SCHEMBL25835351 0.70 BACE1 (0.39) KDM4EMAPTGAASMN1; SMN2ALDH1A1
SCHEMBL25835376 0.69 TDP2 (0.34) MAPT
SCHEMBL12326161 0.68 PDGFRB (0.58) PTGS2KDM4EMAPTPDGFRBPDGFRA
SCHEMBL13931139 0.68 PTGS2 (0.37) PTGS2KDM4EMAPTPDGFRBPDGFRA
SCHEMBL13931143 0.66 MAPT (0.40) PTGS2KDM4EMAPTPDGFRBPDGFRA
SCHEMBL16911398 0.65 PDGFRB (0.49) PDGFRBPDGFRA

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-20230227393-A1 IRON CATALYZED HIGHLY ENANTIOSELECTIVE CIS-DIHYDROXYLATION OF QUINONES THE UNIVERSITY OF HONG KONG (CN) 2023-07-20 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-20230227393-A1 IRON CATALYZED HIGHLY ENANTIOSELECTIVE CIS-DIHYDROXYLATION OF QUINONES NFE2L2, DUOX1, DUOX2 PTGS2 791/4885KDM4E 3115/4885MAPT 736/4885

“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.