SCHEMBL25835143

SCHEMBL25835143

COc1ccc(C2=C(C)C(=O)C=CC2=O)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.59
PKM P14618 3/20 0.59
KDM4E B2RXH2 2/20 0.59
TDP1 Q9NUW8 2/20 0.59
MEN1 O00255 1/20 0.59
MAPK1 P28482 1/20 0.59
KMT2A Q03164 1/20 0.59
MCL1 Q07820 1/20 0.59
BACE1 P56817 2/20 0.55
ME2 P23368 1/20 0.52
ME1 P48163 1/20 0.52
ME3 Q16798 1/20 0.52
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
HPGD P15428 1/20 0.46
CYP2C19 P33261 1/20 0.46
PTPN1 P18031 1/20 0.45
NPC1 O15118 1/20 0.44

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
SCHEMBL25834313 0.79 CYP2D6 (0.48) MAPTPKMKDM4ETDP1MEN1
SCHEMBL25834311 0.76 PTPRC (0.39) MAPTPKMKDM4ETDP1MEN1
SCHEMBL25834626 0.75 MAOA (0.48) MAPTPKMTDP1KMT2ABACE1
SCHEMBL10424199 0.74 ME2 (0.69) MAPTPKMKDM4ETDP1MEN1
SCHEMBL1917876 0.74 MAPT (1.00) MAPTPKMKDM4ETDP1MEN1
SCHEMBL20299548 0.73 ME2 (0.67) MAPTPKMKDM4ETDP1MEN1
SCHEMBL3677953 0.72 GSK3B (0.60) MAPTPKMKDM4ETDP1MEN1
SCHEMBL17432755 0.71 ME2 (0.48) MAPTPKMKDM4ETDP1MEN1
Hydrochloric Acid SCHEMBL28103558 0.71 MAPT (0.39) MAPTKDM4EHPGDCYP2C19NPC1
SCHEMBL11054457 0.70 MAPT (0.54) MAPTPKMKDM4ETDP1MEN1

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 MAPT 736/4885PKM 1783/4885KDM4E 3115/4885

“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.