SCHEMBL25834702

SCHEMBL25834702

CC1=C(c2ccc(Br)cc2)C(=O)[C@H](O)[C@H](O)C1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
NPC1 O15118 3/20 0.38
MAPT P10636 2/20 0.38
MAPK1 P28482 2/20 0.38
HTT P42858 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
HSP90AA1 P07900 1/20 0.38
XBP1 P17861 1/20 0.38
MPI P34949 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HAO1 Q9UJM8 2/20 0.34
ALDH1A1 P00352 3/20 0.33
PTGS2 P35354 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
PDE3B Q13370 1/20 0.32

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
SCHEMBL25834515 0.88 HTT (0.36) MEN1KMT2ANPC1MAPTMAPK1
SCHEMBL25834700 0.85 CYP2C9 (0.44) MEN1KMT2AMAPTSMN1; SMN2LMNA
SCHEMBL25837780 0.79 ME2 (0.51) MEN1KMT2ANPC1MAPTMAPK1
SCHEMBL25834514 0.73 CYP2C9 (0.40) MEN1KMT2AMAPTNPSR1PTGS2
SCHEMBL25834696 0.68 PTPRC (0.37) MEN1KMT2ANPC1MAPTMAPK1
SCHEMBL25834311 0.67 PTPRC (0.39) MEN1KMT2ANPC1MAPTMAPK1
SCHEMBL25834368 0.64 PTPRC (0.34) MEN1KMT2ANPC1MAPTMAPK1
SCHEMBL14421349 0.64 ALDH1A1 (0.56) MEN1KMT2ANPC1MAPTMAPK1
SCHEMBL4912423 0.64 CA2 (0.44) MEN1KMT2ANPC1MAPTMAPK1
SCHEMBL6334698 0.63 PTGS2 (0.47) MEN1KMT2ANPC1MAPTMAPK1

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 2 patents. 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
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 MEN1 1455/4885KMT2A 1287/4885NPC1 3027/4885

“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.