SCHEMBL25835351

SCHEMBL25835351

O=C1C[C@@H](O)C(=O)C=C1c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 6/20 0.39
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
CFTR P13569 2/20 0.36
GOPC Q9HD26 2/20 0.36
PTPN1 P18031 2/20 0.35
PTPRC P08575 1/20 0.35
PTPRF P10586 1/20 0.35
CDC25B P30305 1/20 0.35
HSD17B3 P37058 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 1/20 0.32
PLA2G10 O15496 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL25835376 0.84 TDP2 (0.34) MAOAMAOBMAPT
SCHEMBL25835355 0.84 PTPRC (0.35) PTPRCSMN1; SMN2ALDH1A1GAALMNA
SCHEMBL25835354 0.78 BACE1 (0.50) BACE1PTPN1SMN1; SMN2KDM4EALDH1A1
SCHEMBL10697575 0.78 S100A4 (0.43) BACE1MAOAMAOBCFTRGOPC
SCHEMBL25835356 0.77 HDAC4 (0.46) ALDH1A1GAALMNA
SCHEMBL25835385 0.73 L3MBTL1 (0.46) PTPN1PTPRCKDM4EALDH1A1HPGD
SCHEMBL25835348 0.70 MAOA (0.42) MAOAMAOBPTPN1PLA2G10GAA
SCHEMBL25834603 0.69 BACE1 (0.42) BACE1MAOAMAOBPTPN1PTPRC
SCHEMBL8902488 0.66 BACE1 (0.46) BACE1MAOAMAOBCFTRGOPC
SCHEMBL21999240 0.66 PTPN1 (0.46) BACE1MAOAMAOBPTPN1PTPRC

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 608/4885MAOA 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.