SCHEMBL25835348

SCHEMBL25835348

O=C1C[C@@H](O)C(=O)C=C1Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
PTPN1 P18031 1/20 0.40
TEK Q02763 1/20 0.36
PLA2G10 O15496 1/20 0.36
PLA2G2A P14555 1/20 0.36
CALM1 P0DP23 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
MAP1LC3B Q9GZQ8 1/20 0.34
AADAT Q8N5Z0 3/20 0.33
PRSS1 P07477 1/20 0.33
PRSS2 P07478 1/20 0.33
PRSS3 P35030 1/20 0.33
IDH1 O75874 1/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
GAA P10253 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
SCHEMBL9621772 0.76 MAOA (0.41) MAOAMAOBPTPN1TEKPLA2G10
SCHEMBL19390023 0.76 MAOA (0.41) MAOAMAOBPTPN1TEKPLA2G10
SCHEMBL25834692 0.72 MAOA (0.44) MAOAMAOBPTPN1TEKPLA2G10
SCHEMBL25835351 0.70 BACE1 (0.39) MAOAMAOBPTPN1PLA2G10GAA
SCHEMBL10828258 0.69 MAOA (0.41) MAOAMAOBPTPN1TEKCALM1
SCHEMBL25834360 0.69 MAOA (0.41) MAOAMAOBPTPN1TEKCALM1
SCHEMBL2515239 0.65 MAOA (0.69) MAOAMAOBPTPN1TEKPLA2G10
SCHEMBL11540959 0.62 HDAC1 (0.41)
SCHEMBL31503053 0.62 CALM1 (0.38) PTPN1PLA2G10PLA2G2ACALM1MEN1
Diphenylmethane SCHEMBL11211579 0.61 CALM1 (0.80) PLA2G10PLA2G2ACALM1MEN1KMT2A

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 MAOA 44/4885MAOB 90/4885PTPN1 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.