SCHEMBL25834368

SCHEMBL25834368

C[C@@H]1C(=O)C(c2ccc(Br)cc2)=CC(=O)[C@@H]1O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 1/20 0.34
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
HAO1 Q9UJM8 1/20 0.33
GAA P10253 3/20 0.31
MEN1 O00255 3/20 0.30
KMT2A Q03164 3/20 0.30
NPC1 O15118 2/20 0.30
MAPT P10636 2/20 0.30
KDM4E B2RXH2 1/20 0.30
LMNA P02545 1/20 0.30
HSP90AA1 P07900 1/20 0.30
XBP1 P17861 1/20 0.30
MAPK1 P28482 1/20 0.30
MPI P34949 1/20 0.30
HTT P42858 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL25834367 0.86 MAPT (0.33) GAAMEN1KMT2AMAPTLMNA
SCHEMBL25834365 0.84 BACE1 (0.38) PTPRCGAAMEN1KMT2AMAPT
SCHEMBL25834696 0.84 PTPRC (0.37) PTPRCHAO1GAAMEN1KMT2A
SCHEMBL25834371 0.83 MAOB (0.32) GAAMEN1KMT2ANPC1MAPT
SCHEMBL25834555 0.79 MCL1 (0.34) MAPT
SCHEMBL25834369 0.74 MEN1 (0.36) GAAMEN1KMT2AMAPT
SCHEMBL25834786 0.71 CYP2C9 (0.33) GAAMEN1KMT2AMAPTLMNA
SCHEMBL25834515 0.71 HTT (0.36) PDE3BPDE3AHAO1MEN1KMT2A
SCHEMBL25834603 0.67 BACE1 (0.42) PTPRCGAAMEN1KMT2AMAPT
SCHEMBL25835355 0.67 PTPRC (0.35) PTPRCHAO1GAAMEN1KMT2A

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 PTPRC 3535/4885PDE3B 4669/4885PDE3A 4572/4885

“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.