SCHEMBL25834733

SCHEMBL25834733

O=C1c2ccccc2C(=O)[C@](O)(CC2CCOCC2)[C@H]1O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.35
ALDH1A1 P00352 2/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
TSHR P16473 1/20 0.35
ALOX12 P18054 1/20 0.35
MAPK1 P28482 1/20 0.35
CASP1 P29466 1/20 0.35
CA7 P43166 1/20 0.35
RECQL P46063 1/20 0.35
BACE1 P56817 1/20 0.35
CA9 Q16790 1/20 0.35
EHMT2 Q96KQ7 1/20 0.35
NPSR1 Q6W5P4 4/20 0.33
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
KMT2A Q03164 1/20 0.32
KDM1A O60341 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32

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
SCHEMBL25835293 1.00 L3MBTL1 (0.35) L3MBTL1ALDH1A1CA1CA2TSHR
SCHEMBL25834351 0.86 ALDH1A1 (0.37) L3MBTL1ALDH1A1CA1CA2TSHR
SCHEMBL25834666 0.73 ALDH1A1 (0.44) L3MBTL1ALDH1A1CA1CA2TSHR
SCHEMBL25834359 0.71 MAPT (0.42) L3MBTL1ALDH1A1CA1CA2TSHR
SCHEMBL25834735 0.71 MAPT (0.42) L3MBTL1ALDH1A1CA1CA2TSHR
SCHEMBL25834671 0.69 KAT2B (0.36) L3MBTL1ALDH1A1CA1CA2TSHR
SCHEMBL25834352 0.67 MEN1 (0.41) L3MBTL1ALDH1A1CA1CA2TSHR
SCHEMBL25834349 0.65 ALDH1A1 (0.41) L3MBTL1ALDH1A1CA1CA2TSHR
SCHEMBL25834667 0.65 ALDH1A1 (0.41) L3MBTL1ALDH1A1CA1CA2TSHR
SCHEMBL10584320 0.65 ALDH1A1 (0.48) L3MBTL1ALDH1A1CA1CA2TSHR

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 L3MBTL1 4202/4885ALDH1A1 323/4885CA1 486/4885

“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.