SCHEMBL25834696

SCHEMBL25834696

O=C1C=C(c2ccc(Br)cc2)C(=O)[C@H](O)[C@@H]1O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 1/20 0.37
HAO1 Q9UJM8 2/20 0.35
GAA P10253 3/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
MAPT P10636 1/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 3/20 0.32
MAPK1 P28482 2/20 0.32
TSHR P16473 1/20 0.32
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31
CYP2A6 P11509 1/20 0.31
CA12 O43570 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
SMPD1 P17405 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 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
SCHEMBL25834368 0.84 PTPRC (0.34) PTPRCHAO1GAAMEN1KMT2A
SCHEMBL25834786 0.83 CYP2C9 (0.33) GAAMEN1KMT2AMAPTALDH1A1
SCHEMBL25834603 0.82 BACE1 (0.42) PTPRCGAAMEN1KMT2AMAPT
SCHEMBL25834699 0.81 GABRP (0.34) MEN1KMT2AMAPTNPC1ALDH1A1
SCHEMBL25834695 0.79 BACE1 (0.53) MEN1KMT2AMAPTNPC1ALDH1A1
SCHEMBL25834697 0.70 L3MBTL1 (0.37) MAPTALDH1A1MAPK1CA12CA9
SCHEMBL25835355 0.70 PTPRC (0.35) PTPRCHAO1GAAMEN1KMT2A
SCHEMBL25834367 0.69 MAPT (0.33) GAAMEN1KMT2AMAPTALOX15
SCHEMBL25834702 0.68 MEN1 (0.38) HAO1GAAMEN1KMT2AMAPT
SCHEMBL25834365 0.67 BACE1 (0.38) PTPRCGAAMEN1KMT2AMAPT

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 PTPRC 3535/4885HAO1 29/4885GAA 1534/4885

“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.