SCHEMBL25835212

SCHEMBL25835212

O=C1C(c2ccccc2)=CC(=O)[C@@](O)(c2ccccc2)[C@@H]1O

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
BACE1 P56817 2/20 0.35
HSD17B3 P37058 1/20 0.35
PTPN1 P18031 2/20 0.32
PTPRC P08575 1/20 0.32
PTPRF P10586 1/20 0.32
CDC25B P30305 1/20 0.32
HCAR3 P49019 1/20 0.30
HCAR2 Q8TDS4 1/20 0.30
CYP1A2 P05177 1/20 0.30

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
SCHEMBL25834646 1.00 CRHBP (0.44) CRHBPCRHR2MAOAMAOBBACE1
SCHEMBL25834334 0.83 CRHBP (0.57) CRHBPCRHR2MAOAMAOBBACE1
SCHEMBL25834647 0.79 MAOA (0.38) CRHBPCRHR2MAOAMAOBBACE1
SCHEMBL25834335 0.69 CRHBP (0.42) CRHBPCRHR2MAOAMAOBBACE1
SCHEMBL25834638 0.68 ALDH1A1 (0.45) CRHBPCRHR2BACE1CYP1A2
SCHEMBL25834336 0.67 SLC6A2 (0.34) CRHBPCRHR2MAOAMAOBCYP1A2
SCHEMBL25835234 0.67 ALDH1A1 (0.32) CRHBPCRHR2
SCHEMBL25834648 0.67 ALDH1A1 (0.32) CRHBPCRHR2
SCHEMBL25835232 0.66 MAOA (0.38) CRHBPCRHR2MAOAMAOBBACE1
SCHEMBL25834603 0.65 BACE1 (0.42) MAOAMAOBBACE1HSD17B3PTPN1

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 CRHBP 3490/4885CRHR2 2001/4885MAOA 44/4885

“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.