SCHEMBL25835140

SCHEMBL25835140

COc1cccc(C2=CC(=O)C=CC2=O)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.64
MEN1 O00255 1/20 0.64
MAPT P10636 1/20 0.64
PKM P14618 1/20 0.64
MAPK1 P28482 1/20 0.64
KMT2A Q03164 1/20 0.64
MCL1 Q07820 1/20 0.64
TDP1 Q9NUW8 1/20 0.64
MAOA P21397 1/20 0.56
MAOB P27338 1/20 0.56
HSD17B3 P37058 1/20 0.53
BRD4 O60885 2/20 0.50
HDAC4 P56524 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
GAA P10253 1/20 0.49
SETD7 Q8WTS6 1/20 0.47
NCOA1 Q15788 1/20 0.47
NCOA3 Q9Y6Q9 1/20 0.47
DYRK1A Q13627 1/20 0.46
CLK4 Q9HAZ1 1/20 0.46

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
SCHEMBL28709799 0.81 HDAC4 (0.49) KDM4EMEN1MAPTPKMMAPK1
SCHEMBL25834318 0.79 MAOB (0.60) KDM4EMEN1MAPTPKMMAPK1
SCHEMBL1917876 0.78 MAPT (1.00) KDM4EMEN1MAPTPKMMAPK1
SCHEMBL28028117 0.77 HSD17B3 (0.75) KDM4EMEN1MAPTPKMMAPK1
SCHEMBL9727963 0.76 HDAC4 (0.50) KDM4EMEN1MAPTMAPK1KMT2A
SCHEMBL10993386 0.76 BRD4 (0.50) KDM4EMAPTBRD4HDAC4HDAC8
SCHEMBL25834314 0.75 MAOB (0.66) KDM4EMEN1MAPTPKMMAPK1
SCHEMBL3767108 0.75 MAOA (0.60) KDM4EMEN1MAPTPKMMAPK1
SCHEMBL196765 0.74 CYP3A4 (0.73) KDM4EKMT2AMAOBBRD4HDAC4
SCHEMBL29489425 0.74 CYP3A4 (0.73) KDM4EKMT2AMAOBBRD4HDAC4

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 KDM4E 3115/4885MEN1 1455/4885MAPT 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.