SCHEMBL25834756

SCHEMBL25834756

O=C1C=C(c2ccc(Br)cc2)C(=O)c2ccccc21

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 5/20 0.75
PTPRC P08575 5/20 0.73
PTPN1 P18031 5/20 0.55
CDC25B P30305 4/20 0.53
PTPRF P10586 2/20 0.53
CES2 O00748 2/20 0.47
CES1 P23141 2/20 0.47
MEN1 O00255 2/20 0.47
LMNA P02545 2/20 0.47
MAPT P10636 2/20 0.47
MAOB P27338 2/20 0.47
MAPK1 P28482 2/20 0.47
KMT2A Q03164 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
IDO1 P14902 2/20 0.47
CDC25A P30304 2/20 0.47
PLIN1 O60240 1/20 0.47
NR1I2 O75469 1/20 0.47
USP2 O75604 1/20 0.47
ALDH1A1 P00352 1/20 0.47

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
SCHEMBL5485068 0.86 BACE1 (1.00) BACE1PTPRCPTPN1CDC25BPTPRF
SCHEMBL29673492 0.86 BACE1 (1.00) BACE1PTPRCPTPN1CDC25BPTPRF
SCHEMBL6236908 0.85 PTPRC (1.00) BACE1PTPRCPTPN1CDC25BPTPRF
SCHEMBL11048150 0.83 BACE1 (0.72) BACE1PTPRCPTPN1CDC25BPTPRF
SCHEMBL312389 0.83 BACE1 (1.00) BACE1PTPRCPTPN1CDC25BPTPRF
SCHEMBL31423340 0.83 BACE1 (1.00) BACE1PTPRCPTPN1CDC25BPTPRF
SCHEMBL28556962 0.83 BACE1 (0.72) BACE1PTPRCPTPN1CDC25BPTPRF
SCHEMBL28339368 0.83 BACE1 (0.72) BACE1PTPRCPTPN1CDC25BPTPRF
SCHEMBL6555840 0.81 BACE1 (0.75) BACE1PTPRCPTPN1CDC25BPTPRF
Methylamine SCHEMBL3277347 0.81 BACE1 (0.89) BACE1PTPRCPTPN1CDC25BPTPRF

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 608/4885PTPRC 3535/4885PTPN1 4633/4885

“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.