SCHEMBL25834276

SCHEMBL25834276

CC1=CC(=O)C(c2ccc(C)cc2)=CC1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.50
EEF2K O00418 1/20 0.39
PLK1 P53350 1/20 0.39
PLK2 Q9NYY3 1/20 0.39
CYP2D6 P10635 2/20 0.38
CYP2C9 P11712 2/20 0.38
HPGD P15428 2/20 0.38
CYP2C19 P33261 2/20 0.38
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MAPT P10636 4/20 0.37
TDP1 Q9NUW8 3/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
PKM P14618 2/20 0.37
MAPK1 P28482 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MCL1 Q07820 1/20 0.37
RGS4 P49798 1/20 0.37
STAT3 P40763 1/20 0.36

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
SCHEMBL25834719 0.85 BACE1 (0.48) BACE1EEF2KPLK1PLK2CYP2D6
SCHEMBL25834271 0.83 BACE1 (0.53) BACE1EEF2KPLK1PLK2CYP2D6
SCHEMBL14507718 0.78 PLK1 (0.50) BACE1EEF2KPLK1PLK2CYP2D6
SCHEMBL16769521 0.76 BACE1 (0.71) BACE1MAPTACHEALDH1A1GAA
SCHEMBL16656179 0.75 MAPT (0.43) BACE1CYP2D6CYP2C9HPGDCYP2C19
SCHEMBL3786541 0.74 KDM4E (0.66) BACE1CYP2D6CYP2C9HPGDCYP2C19
P-Xyloquinone SCHEMBL49964 0.72 PLK1 (0.60) EEF2KPLK1PLK2CYP2D6CYP2C9
SCHEMBL11048150 0.68 BACE1 (0.72) BACE1CYP2D6CYP2C9HPGDCYP2C19
SCHEMBL12112078 0.67 CYP2D6 (0.39) BACE1CYP2D6CYP2C9HPGDCYP2C19
SCHEMBL221295 0.66 BACE1 (0.65) BACE1HPGDMAPTHSD17B3LMNA

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 BACE1 608/4885EEF2K 1619/4885PLK1 818/4885

“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.