SCHEMBL25834656

SCHEMBL25834656

C[C@@]1(O)C(=O)c2ccc(Cl)cc2C(=O)[C@@H]1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPOX P50336 1/20 0.41
S100A4 P26447 2/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
PDK2 Q15119 3/20 0.38
SLC6A9 P48067 1/20 0.37
HSP90AA1 P07900 1/20 0.36
METAP1 P53582 1/20 0.35
CES1 P23141 2/20 0.34
TGM2 P21980 2/20 0.34
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ABCC9 O60706 1/20 0.33
IDO1 P14902 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
SCHEMBL25834345 0.84 PPOX (0.41) PPOXS100A4CA1CA2CA4
SCHEMBL25834659 0.83 CA1 (0.58) CA1CA2CA4CA7CA9
SCHEMBL25837698 0.78 CA1 (0.59) CA1CA2CA4CA7CA9
SCHEMBL25834634 0.78 ALDH1A1 (0.48) S100A4CA1CA2CA4CA7
SCHEMBL10584320 0.78 ALDH1A1 (0.48) S100A4CA1CA2CA4CA7
SCHEMBL25834654 0.77 CA1 (0.58) CA1CA2CA4CA7CA9
SCHEMBL25837688 0.72 CA1 (0.59) CA1CA2CA4CA7CA9
SCHEMBL25836419 0.72 CA1 (0.59) CA1CA2CA4CA7CA9
SCHEMBL11139458 0.71 S100A4 (0.52) PPOXS100A4CA1CA2CA4
SCHEMBL25835262 0.69 PGR (0.42) PPOXS100A4CA1CA2CA4

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 PPOX 23/4885S100A4 3797/4885CA1 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.