SCHEMBL25835259

SCHEMBL25835259

C[C@@]1(O)CC(=O)c2ccccc2C1=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
ALDH1A1 P00352 8/20 0.50
L3MBTL1 Q9Y468 4/20 0.50
RECQL P46063 3/20 0.50
ALOX12 P18054 2/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
TSHR P16473 1/20 0.50
MAPK1 P28482 1/20 0.50
CASP1 P29466 1/20 0.50
CA7 P43166 1/20 0.50
BACE1 P56817 1/20 0.50
CA9 Q16790 1/20 0.50
EHMT2 Q96KQ7 1/20 0.50
GFER P55789 1/20 0.43
MAPT P10636 5/20 0.43
APAF1 O14727 2/20 0.43
TDP2 O95551 2/20 0.43

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
SCHEMBL12822665 1.00 POLB (0.51) POLBMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL11073092 0.80 L3MBTL1 (0.47) POLBALDH1A1L3MBTL1RECQLALOX12
SCHEMBL28680129 0.79 POLB (0.54) POLBMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL2724212 0.79 ALDH1A1 (0.54) POLBMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL25835262 0.77 PGR (0.42) MEN1KMT2AALDH1A1CA1CA2
SCHEMBL25835265 0.77 CA1 (0.54) POLBMEN1KMT2AALDH1A1RECQL
SCHEMBL2956347 0.76 ALDH1A1 (0.50) POLBMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL12856856 0.75 ALDH1A1 (0.67) POLBMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL460991 0.74 POLB (0.50) POLBMEN1KMT2AALDH1A1L3MBTL1
Menadione Sulfurous Acid SCHEMBL18314150 0.74 POLB (0.67) POLBMEN1KMT2AALDH1A1L3MBTL1

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 POLB 862/4885MEN1 1455/4885KMT2A 1287/4885

“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.