SCHEMBL25837763

SCHEMBL25837763

COc1cccc(C2=CC(=O)[C@@H](O)[C@@H](O)C2=O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
GAA P10253 1/20 0.43
NCOA1 Q15788 1/20 0.42
NCOA3 Q9Y6Q9 1/20 0.42
BRD4 O60885 2/20 0.41
ALDH1A1 P00352 5/20 0.41
KDM4E B2RXH2 2/20 0.41
CYP3A4 P08684 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
CYP2D6 P10635 1/20 0.41
NFKB1 P19838 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
NFKB2 Q00653 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL25834695 0.81 BACE1 (0.53) HDAC4HDAC8ALDH1A1KDM4ESMN1; SMN2
SCHEMBL25834697 0.80 L3MBTL1 (0.37) ALDH1A1KDM4ECYP3A4CLK4NOTUM
SCHEMBL25835356 0.77 HDAC4 (0.46) HDAC4HDAC8GAANCOA1NCOA3
SCHEMBL25834699 0.77 GABRP (0.34) ALDH1A1SMN1; SMN2MEN1NPC1RAB9A
SCHEMBL25834603 0.76 BACE1 (0.42) HDAC4HDAC8GAAALDH1A1SMN1; SMN2
SCHEMBL25835140 0.70 KDM4E (0.64) HDAC4HDAC8GAANCOA1NCOA3
SCHEMBL9727963 0.70 HDAC4 (0.50) HDAC4HDAC8GAANCOA1NCOA3
SCHEMBL25835384 0.70 L3MBTL1 (0.44) GAAALDH1A1KDM4ECYP3A4SMN1; SMN2
SCHEMBL25834709 0.70 L3MBTL1 (0.44) GAAALDH1A1KDM4ECYP3A4SMN1; SMN2
SCHEMBL25834786 0.69 CYP2C9 (0.33) GAAALDH1A1MEN1POLBCYP2D6

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 HDAC4 3492/4885HDAC8 3205/4885GAA 1534/4885

“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.