SCHEMBL25834346

SCHEMBL25834346

Cc1ccc2c(c1)C(=O)[C@@H](C)[C@@](C)(O)C2=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 7/20 0.58
CA9 Q16790 7/20 0.58
CA2 P00918 6/20 0.58
CA7 P43166 6/20 0.58
CA4 P22748 3/20 0.58
ACHE P22303 1/20 0.41
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
ELANE P08246 1/20 0.39
METAP1 P53582 1/20 0.34
LCK P06239 1/20 0.34
KDM4E B2RXH2 2/20 0.33
RAD52 P43351 1/20 0.33
ATM Q13315 1/20 0.33
ROS1 P08922 1/20 0.33
CDK5 Q00535 1/20 0.33
ACVR1 Q04771 1/20 0.33
LRRK2 Q5S007 1/20 0.33
ALDH1A1 P00352 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL25834343 0.93 CA1 (0.58) CA1CA9CA2CA7CA4
SCHEMBL25834345 0.83 PPOX (0.41) CA1CA9CA2CA7CA4
SCHEMBL25834659 0.83 CA1 (0.58) CA1CA9CA2CA7CA4
SCHEMBL25834341 0.80 ALDH1A1 (0.48) CA1CA9CA2CA7CA4
SCHEMBL25834654 0.76 CA1 (0.58) CA1CA9CA2CA7CA4
SCHEMBL6196955 0.74 CA1 (1.00) CA1CA9CA2CA7CA4
SCHEMBL14099568 0.73 CA1 (0.46) CA1CA9CA2CA7CA4
SCHEMBL11266220 0.71 ACHE (0.43) CA1CA9CA2CA7CA4
SCHEMBL14077428 0.71 MAOA (0.50) CA1CA9CA2CA7CA4
SCHEMBL25837698 0.68 CA1 (0.59) CA1CA9CA2CA7CA4

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 CA1 486/4885CA9 539/4885CA2 903/4885

“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.