SCHEMBL25834667

SCHEMBL25834667

O=C1c2ccccc2C(=O)[C@](O)(C2CCCCC2)[C@H]1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
TSHR P16473 3/20 0.41
ALOX12 P18054 3/20 0.41
RECQL P46063 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
MAPK1 P28482 1/20 0.41
CASP1 P29466 1/20 0.41
CA7 P43166 1/20 0.41
BACE1 P56817 1/20 0.41
CA9 Q16790 1/20 0.41
EHMT2 Q96KQ7 1/20 0.41
SPHK1 Q9NYA1 1/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 2/20 0.35
PKM P14618 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL25834349 1.00 ALDH1A1 (0.41) ALDH1A1TSHRALOX12RECQLL3MBTL1
SCHEMBL25836438 0.83 ALDH1A1 (0.35) ALDH1A1TSHRALOX12RECQLL3MBTL1
SCHEMBL25834351 0.76 ALDH1A1 (0.37) ALDH1A1TSHRALOX12RECQLL3MBTL1
SCHEMBL25834634 0.70 ALDH1A1 (0.48) ALDH1A1TSHRALOX12RECQLL3MBTL1
SCHEMBL10584320 0.70 ALDH1A1 (0.48) ALDH1A1TSHRALOX12RECQLL3MBTL1
SCHEMBL25834638 0.68 ALDH1A1 (0.45) ALDH1A1TSHRALOX12RECQLL3MBTL1
SCHEMBL25834666 0.67 ALDH1A1 (0.44) ALDH1A1TSHRALOX12RECQLL3MBTL1
SCHEMBL23453324 0.67 LMNA (0.58) ALDH1A1TSHRALOX12RECQLMAPK1
SCHEMBL23453325 0.67 LMNA (0.58) ALDH1A1TSHRALOX12RECQLMAPK1
SCHEMBL7312265 0.65 PDK2 (0.45) ALDH1A1TSHRL3MBTL1MAPK1KMT2A

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 ALDH1A1 323/4885TSHR 4048/4885ALOX12 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.