SCHEMBL25834692

SCHEMBL25834692

O=C1C=C(Cc2ccccc2)C(=O)[C@H](O)[C@@H]1O

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
PTPN1 P18031 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TEK Q02763 1/20 0.38
CALM1 P0DP23 1/20 0.38
IDH1 O75874 2/20 0.35
DAO P14920 1/20 0.35
PLA2G10 O15496 1/20 0.34
PLA2G2A P14555 1/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
MAPK1 P28482 1/20 0.34
HIF1A Q16665 1/20 0.34

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
SCHEMBL25834360 0.85 MAOA (0.41) MAOAMAOBPTPN1MEN1KMT2A
SCHEMBL25835348 0.72 MAOA (0.42) MAOAMAOBPTPN1MEN1KMT2A
SCHEMBL25834603 0.68 BACE1 (0.42) MAOAMAOBPTPN1MEN1KMT2A
SCHEMBL2515239 0.68 MAOA (0.69) MAOAMAOBPTPN1MEN1KMT2A
SCHEMBL9621772 0.64 MAOA (0.41) MAOAMAOBPTPN1MEN1KMT2A
SCHEMBL19390023 0.64 MAOA (0.41) MAOAMAOBPTPN1MEN1KMT2A
Diphenylmethane SCHEMBL10394702 0.63 CALM1 (0.92) CALM1IDH1PLA2G10PLA2G2ALMNA
Diphenylmethane SCHEMBL11601786 0.62 CALM1 (0.67) PTPN1MEN1KMT2ACALM1IDH1
SCHEMBL1872240 0.62 MAOA (1.00) MAOAMAOBPTPN1TEKCALM1
SCHEMBL991827 0.62 MAOA (0.50) MAOAMAOBPTPN1

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 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.