SCHEMBL25834360

SCHEMBL25834360

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

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
PTPN1 P18031 1/20 0.39
TEK Q02763 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
IDH1 O75874 3/20 0.36
LMNA P02545 1/20 0.35
CALM1 P0DP23 1/20 0.34
ALDH1A1 P00352 1/20 0.33
GLA P06280 1/20 0.33
HPGD P15428 1/20 0.33
DAO P14920 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
SCHEMBL25834692 0.85 MAOA (0.44) MAOAMAOBPTPN1TEKMEN1
SCHEMBL25834365 0.71 BACE1 (0.38) MAOAMAOBPTPN1MEN1KMT2A
SCHEMBL25835348 0.69 MAOA (0.42) MAOAMAOBPTPN1TEKMEN1
SCHEMBL2515239 0.64 MAOA (0.69) MAOAMAOBPTPN1TEKMEN1
SCHEMBL9621772 0.61 MAOA (0.41) MAOAMAOBPTPN1TEKMEN1
SCHEMBL17480820 0.60 CYP1A2 (0.44) MAOAMAOBIDH1LMNACALM1
Diphenylmethane SCHEMBL10394702 0.60 CALM1 (0.92) IDH1LMNACALM1ALDH1A1
Diphenylmethane SCHEMBL11601786 0.59 CALM1 (0.67) PTPN1MEN1KMT2AIDH1LMNA
SCHEMBL720415 0.59 MAOA (0.46) MAOAMAOBPTPN1TEKLMNA
SCHEMBL6866056 0.59 MAOA (0.42) MAOAMAOBPTPN1TEKIDH1

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.