SCHEMBL23313872

SCHEMBL23313872

CCC(C)(C)C(=O)c1cc(Cl)cc(Cl)c1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C2 P52895 2/20 0.53
AKR1C1 Q04828 2/20 0.53
AKR1C4 P17516 1/20 0.53
AKR1C3 P42330 1/20 0.53
ALDH1A1 P00352 2/20 0.42
HSD17B10 Q99714 2/20 0.42
RECQL P46063 2/20 0.42
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.42
PTGS1 P23219 1/20 0.41
TBXAS1 P24557 1/20 0.41
MAPK1 P28482 1/20 0.41
PTGS2 P35354 1/20 0.41
MAPK14 Q16539 1/20 0.41
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
HPGD P15428 2/20 0.38
ERN1 O75460 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL23313873 0.82 AKR1C2 (0.60) AKR1C2AKR1C1AKR1C4AKR1C3ALDH1A1
SCHEMBL11803913 0.77 AKR1C4 (0.62) AKR1C2AKR1C1AKR1C4AKR1C3ALDH1A1
SCHEMBL423686 0.75 AKR1C4 (0.60) AKR1C2AKR1C1AKR1C4AKR1C3ALDH1A1
SCHEMBL11537689 0.75 AKR1C4 (0.60) AKR1C2AKR1C1AKR1C4AKR1C3ALDH1A1
SCHEMBL659333 0.72 AKR1C4 (0.67) AKR1C2AKR1C1AKR1C4AKR1C3ALDH1A1
SCHEMBL29613154 0.72 AKR1C4 (0.67) AKR1C2AKR1C1AKR1C4AKR1C3ALDH1A1
SCHEMBL2454782 0.71 AKR1C4 (0.55) AKR1C2AKR1C1AKR1C4AKR1C3ALDH1A1
SCHEMBL11682561 0.71 AKR1C4 (0.55) AKR1C2AKR1C1AKR1C4AKR1C3ALDH1A1
SCHEMBL4891035 0.70 AKR1C4 (0.69) AKR1C2AKR1C1AKR1C4AKR1C3ALDH1A1
SCHEMBL184603 0.70 AKR1C2 (1.00) AKR1C2AKR1C1AKR1C4AKR1C3ALDH1A1

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-10995061-B2 SPAK kinase inhibitors as neuroprotective agents UNITED STATES GOVERNMENT AS REPRESENTED BY THE DEPARTMENT OF VETERANS AFFAIRS (US) 2021-05-04 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-10995061-B2 SPAK kinase inhibitors as neuroprotective agents SBK1, DAPK2, SPAST AKR1C2 3705/4885AKR1C1 3729/4885AKR1C4 4079/4885

“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.