SCHEMBL25834348

SCHEMBL25834348

C[C@@H]1C(=O)c2ccccc2C(=O)[C@@]1(O)CBr

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
RECQL P46063 3/20 0.42
ALOX12 P18054 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
CASP1 P29466 1/20 0.42
CA7 P43166 1/20 0.42
BACE1 P56817 1/20 0.42
CA9 Q16790 1/20 0.42
EHMT2 Q96KQ7 1/20 0.42
CYP2D6 P10635 1/20 0.39
MAPT P10636 6/20 0.38
POLB P06746 3/20 0.38
APAF1 O14727 2/20 0.38
TDP2 O95551 2/20 0.38
NSD2 O96028 2/20 0.38
THRB P10828 1/20 0.38

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
SCHEMBL25834666 0.81 ALDH1A1 (0.44) ALDH1A1RECQLALOX12L3MBTL1CA1
SCHEMBL25834341 0.75 ALDH1A1 (0.48) ALDH1A1RECQLALOX12L3MBTL1CA1
SCHEMBL25834355 0.71 CRHBP (0.54) ALDH1A1RECQLALOX12L3MBTL1CA1
SCHEMBL15245116 0.66 MEN1 (0.55) ALDH1A1RECQLMAPK1MAPTPOLB
SCHEMBL25834359 0.66 MAPT (0.42) ALDH1A1RECQLALOX12L3MBTL1CA1
SCHEMBL25834735 0.66 MAPT (0.42) ALDH1A1RECQLALOX12L3MBTL1CA1
SCHEMBL25834352 0.65 MEN1 (0.41) ALDH1A1RECQLALOX12L3MBTL1CA1
SCHEMBL12856856 0.65 ALDH1A1 (0.67) ALDH1A1RECQLALOX12L3MBTL1CA1
SCHEMBL10814109 0.65 PKM (0.45) ALDH1A1RECQLALOX12L3MBTL1CA1
SCHEMBL17703888 0.65 ALDH1A1 (0.41) ALDH1A1RECQLALOX12L3MBTL1CA1

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 ALDH1A1 323/4885RECQL 838/4885ALOX12 401/4885

“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.