SCHEMBL25834311

SCHEMBL25834311

CC1=C(c2ccc(Br)cc2)C(=O)C=CC1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 1/20 0.39
MAPK1 P28482 3/20 0.38
MEN1 O00255 3/20 0.38
MAPT P10636 3/20 0.38
KMT2A Q03164 3/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
KDM4E B2RXH2 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
SMN1; SMN2 Q16637 2/20 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
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ALDH1A1 P00352 3/20 0.37
PKM P14618 1/20 0.36
MCL1 Q07820 1/20 0.36
PTGS2 P35354 2/20 0.35

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
SCHEMBL14421349 0.68 ALDH1A1 (0.56) PTPRCMAPK1MEN1MAPTKMT2A
SCHEMBL4912423 0.67 CA2 (0.44) PTPRCMAPK1MEN1MAPTKMT2A
SCHEMBL6334698 0.67 PTGS2 (0.47) MAPK1MEN1MAPTKMT2ANPC1
SCHEMBL9181922 0.65 NPC1 (0.37) MAPK1MEN1MAPTKMT2ANPC1
SCHEMBL17430598 0.65 ALDH1A1 (0.44) PTPRCMAPK1MEN1MAPTKMT2A
SCHEMBL49743 0.65 MAOA (0.37) MAPK1MEN1MAPTKMT2ARAB9A
SCHEMBL12819407 0.64 AURKA (0.36) ALDH1A1CYP2D6CYP2C9HPGDALOX15
SCHEMBL6338000 0.64 PTGS2 (0.47) MAPK1MEN1MAPTKMT2AALDH1A1
SCHEMBL12391791 0.64 APP (0.40) MAPK1MEN1MAPTKMT2ANPC1
SCHEMBL14407340 0.62 PDE4B (0.53) PTPRCMAPTKMT2ALMNAHTT

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 PTPRC 3535/4885MAPK1 2680/4885MEN1 1455/4885

“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.