SCHEMBL25834697

SCHEMBL25834697

Cc1cccc(C2=CC(=O)[C@@H](O)[C@@H](O)C2=O)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.37
NOTUM Q6P988 1/20 0.36
PTPN5 P54829 1/20 0.35
PDK2 Q15119 1/20 0.35
ACHE P22303 1/20 0.34
HSD17B10 Q99714 2/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
DHODH Q02127 1/20 0.34
MAOB P27338 1/20 0.34
KMO O15229 1/20 0.34
XDH P47989 1/20 0.34
FYN P06241 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34
DYRK1B Q9Y463 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL25834369 0.88 MEN1 (0.36) L3MBTL1NOTUMPTPN5CNR1CNR2
SCHEMBL25834699 0.81 GABRP (0.34) MAOBALDH1A1TP53MAPT
SCHEMBL25837763 0.80 HDAC4 (0.48) NOTUMHSD17B10CLK4KDM4EALDH1A1
SCHEMBL25834786 0.80 CYP2C9 (0.33) HSD17B10ALDH1A1MAPTHPGDTDP1
SCHEMBL25834603 0.79 BACE1 (0.42) L3MBTL1NOTUMMAOBALDH1A1MAPT
SCHEMBL25834371 0.71 MAOB (0.32) MAOBKDM4EALDH1A1CYP3A4MAPT
SCHEMBL25834696 0.70 PTPRC (0.37) ALDH1A1MAPTMAPK1CA12CA9
SCHEMBL25834695 0.69 BACE1 (0.53) KDM4EALDH1A1TP53MAPTHPGD
SCHEMBL1471565 0.68 MAPT (0.46) L3MBTL1NOTUMACHEHSD17B10MAOB
SCHEMBL25834365 0.68 BACE1 (0.38) L3MBTL1MAOBALDH1A1MAPTHPGD

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 L3MBTL1 4202/4885NOTUM 3230/4885PTPN5 4623/4885

“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.