SCHEMBL25834603

SCHEMBL25834603

O=C1C=C(c2ccccc2)C(=O)[C@H](O)[C@@H]1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 6/20 0.42
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
PTPN1 P18031 2/20 0.37
PTPRC P08575 1/20 0.37
PTPRF P10586 1/20 0.37
CDC25B P30305 1/20 0.37
HSD17B3 P37058 1/20 0.37
MAPT P10636 2/20 0.33
LMNA P02545 2/20 0.33
HTT P42858 1/20 0.33
ALDH1A1 P00352 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
ALOX12 P18054 1/20 0.33
CCR6 P51684 1/20 0.33
CACNA1B Q00975 1/20 0.33
APBA1 Q02410 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL25834365 0.83 BACE1 (0.38) BACE1MAOAMAOBPTPN1PTPRC
SCHEMBL25834699 0.83 GABRP (0.34) MAOBMAPTALDH1A1MEN1KMT2A
SCHEMBL25834696 0.82 PTPRC (0.37) PTPRCMAPTALDH1A1GAAMEN1
SCHEMBL25834786 0.81 CYP2C9 (0.33) MAPTLMNAHTTALDH1A1GAA
SCHEMBL25834697 0.79 L3MBTL1 (0.37) MAOBMAPTALDH1A1L3MBTL1HPGD
SCHEMBL25834695 0.77 BACE1 (0.53) BACE1MAOAPTPN1MAPTALDH1A1
SCHEMBL25837763 0.76 HDAC4 (0.48) MAPTLMNAHTTALDH1A1GAA
SCHEMBL25835351 0.69 BACE1 (0.39) BACE1MAOAMAOBPTPN1PTPRC
SCHEMBL21999240 0.68 PTPN1 (0.46) BACE1MAOAMAOBPTPN1PTPRC
SCHEMBL25834692 0.68 MAOA (0.44) MAOAMAOBPTPN1LMNAMEN1

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

“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.