SCHEMBL25837780

SCHEMBL25837780

COc1ccc(C2=C(C)C(=O)[C@@H](O)[C@@H](O)C2=O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ME2 P23368 1/20 0.51
ME1 P48163 1/20 0.51
ME3 Q16798 1/20 0.51
BACE1 P56817 1/20 0.42
ESR2 Q92731 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
MAPT P10636 3/20 0.41
TP53 P04637 2/20 0.41
TSHR P16473 1/20 0.41
PTGS2 P35354 3/20 0.40
ALKBH3 Q96Q83 1/20 0.40
FGFR1 P11362 1/20 0.40
SRC P12931 1/20 0.40
FGFR2 P21802 1/20 0.40
FGFR4 P22455 1/20 0.40
FGFR3 P22607 1/20 0.40
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 2/20 0.40

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
SCHEMBL25834700 0.82 CYP2C9 (0.44) ESR2SMN1; SMN2MAPTPTGS2MEN1
SCHEMBL25834702 0.79 MEN1 (0.38) ESR2SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL25836490 0.78 ME2 (0.46) ME2ME1ME3BACE1ESR2
SCHEMBL25834695 0.71 BACE1 (0.53) ME2ME1ME3BACE1ESR2
SCHEMBL10424199 0.71 ME2 (0.69) ME2ME1ME3BACE1ESR2
SCHEMBL25834514 0.70 CYP2C9 (0.40) ESR2MAPTPTGS2MEN1KMT2A
SCHEMBL25835143 0.69 MAPT (0.59) ME2ME1ME3BACE1ESR2
SCHEMBL3169028 0.69 PTGS2 (0.53) ME2ME1ME3BACE1SMN1; SMN2
SCHEMBL20299548 0.69 ME2 (0.67) ME2ME1ME3BACE1ESR2
SCHEMBL3677953 0.68 GSK3B (0.60) ME2ME1ME3BACE1MAPT

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 ME2 476/4885ME1 726/4885ME3 357/4885

“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.