SCHEMBL25834365

SCHEMBL25834365

C[C@@H]1C(=O)C(c2ccccc2)=CC(=O)[C@@H]1O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 6/20 0.38
MAOB P27338 2/20 0.36
MAOA P21397 1/20 0.36
PTPN1 P18031 3/20 0.34
PTPRC P08575 1/20 0.34
PTPRF P10586 1/20 0.34
CDC25B P30305 1/20 0.34
HSD17B3 P37058 1/20 0.34
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
PDE4B Q07343 1/20 0.33
PTGS2 P35354 1/20 0.31
ALDH1A1 P00352 2/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
MAPT P10636 2/20 0.30
LMNA P02545 1/20 0.30
HTT P42858 1/20 0.30
GAA P10253 1/20 0.30
HPGD P15428 1/20 0.30
ALOX12 P18054 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
SCHEMBL25834371 0.84 MAOB (0.32) MAOBALDH1A1MAPTGAANPSR1
SCHEMBL25834368 0.84 PTPRC (0.34) PTPRCMAPTLMNAHTTGAA
SCHEMBL25834367 0.84 MAPT (0.33) MAOBMAPTLMNAGAAHPGD
SCHEMBL25834603 0.83 BACE1 (0.42) BACE1MAOBMAOAPTPN1PTPRC
SCHEMBL25834369 0.82 MEN1 (0.36) MAOBALDH1A1L3MBTL1MAPTGAA
SCHEMBL25834555 0.77 MCL1 (0.34) MAPT
SCHEMBL25834382 0.74 L3MBTL1 (0.43) PTPN1PTPRCPTGS2ALDH1A1L3MBTL1
SCHEMBL25834360 0.71 MAOA (0.41) MAOBMAOAPTPN1ALDH1A1LMNA
SCHEMBL7256745 0.69 PTGS2 (0.41) CDC25BCRHBPCRHR2PDE4BPTGS2
SCHEMBL25834786 0.69 CYP2C9 (0.33) ALDH1A1MAPTLMNAHTTGAA

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 BACE1 608/4885MAOB 90/4885MAOA 44/4885

“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.