SCHEMBL25835355

SCHEMBL25835355

O=C1C[C@@H](O)C(=O)C=C1c1ccc(Br)cc1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 1/20 0.35
SLC6A3 Q01959 2/20 0.33
GAA P10253 2/20 0.32
MAPT P10636 3/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ALDH1A1 P00352 4/20 0.31
SMN1; SMN2 Q16637 2/20 0.30
LMNA P02545 1/20 0.30
MAPK1 P28482 1/20 0.30
HAO1 Q9UJM8 1/20 0.30
BRD4 O60885 1/20 0.30
TSHR P16473 1/20 0.30
HTR2C P28335 1/20 0.30
POLB P06746 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
SCHEMBL25835351 0.84 BACE1 (0.39) PTPRCGAAMAPTALDH1A1SMN1; SMN2
SCHEMBL25835376 0.82 TDP2 (0.34) MAPTMEN1KMT2APOLB
SCHEMBL25835354 0.80 BACE1 (0.50) GAAMAPTMEN1KMT2AALDH1A1
SCHEMBL25836945 0.71 PTGS2 (0.35) GAAMAPTALDH1A1SMN1; SMN2
SCHEMBL25834696 0.70 PTPRC (0.37) PTPRCGAAMAPTMEN1KMT2A
SCHEMBL25835356 0.69 HDAC4 (0.46) GAAALDH1A1LMNABRD4
SCHEMBL25834368 0.67 PTPRC (0.34) PTPRCGAAMAPTMEN1KMT2A
SCHEMBL12646071 0.59
SCHEMBL14535145 0.59
SCHEMBL13528150 0.59 TLR4 (0.31)

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 PTPRC 3535/4885SLC6A3 766/4885GAA 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.