SCHEMBL25834662

SCHEMBL25834662

C[C@@]1(O)C(=O)c2cccc(O)c2C(=O)[C@@H]1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.53
CA2 P00918 4/20 0.53
CA7 P43166 4/20 0.53
CA9 Q16790 4/20 0.53
MMP2 P08253 1/20 0.44
MAPT P10636 6/20 0.43
KMT2A Q03164 5/20 0.43
KDM4E B2RXH2 5/20 0.43
RECQL P46063 5/20 0.43
ALDH1A1 P00352 4/20 0.43
MAPK1 P28482 4/20 0.43
TDP1 Q9NUW8 4/20 0.43
MEN1 O00255 4/20 0.43
IDO1 P14902 4/20 0.43
HPGD P15428 3/20 0.43
ALOX15 P16050 3/20 0.43
HSD17B10 Q99714 3/20 0.43
CYP3A4 P08684 3/20 0.43
USP2 O75604 3/20 0.43
BRCA1 P38398 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
SCHEMBL25834347 0.84 CA1 (0.53) CA1CA2CA7CA9MMP2
SCHEMBL25834721 0.80 CA1 (0.59) CA1CA2CA7CA9MAPT
SCHEMBL10584320 0.78 ALDH1A1 (0.48) CA1CA2CA7CA9MAPT
SCHEMBL25834634 0.78 ALDH1A1 (0.48) CA1CA2CA7CA9MAPT
SCHEMBL3193276 0.73 CA1 (0.47) CA1CA2CA7CA9MAPT
SCHEMBL26203059 0.71 STAT3 (0.53) CA1CA2CA7CA9MMP2
SCHEMBL15642543 0.70 CA1 (1.00) CA1CA2CA7CA9MAPT
SCHEMBL9389657 0.70 MAOA (0.54) CA1CA2CA7CA9MAPT
SCHEMBL25835265 0.69 CA1 (0.54) CA1CA2CA7CA9MAPT
SCHEMBL19891984 0.68 CA1 (0.53) CA1CA2CA7CA9MAPT

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 CA1 486/4885CA2 903/4885CA7 860/4885

“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.