SCHEMBL522651

SCHEMBL522651

COC(=O)c1c(Cl)c(Cl)c(CO)c(Cl)c1Cl

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
HSP90B1 P14625 5/20 0.35
GCGR P47871 1/20 0.35
ALDH1A1 P00352 1/20 0.35
NR4A2 P43354 1/20 0.35
HSP90AA1 P07900 2/20 0.35
KDM4E B2RXH2 2/20 0.34
CNR2 P34972 1/20 0.33
NPSR1 Q6W5P4 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
Dacthal SCHEMBL8827292 0.84 CA12 (0.48) CA12CA1CA2CA7CA9
Dacthal SCHEMBL53477 0.84 CA12 (0.48) CA12CA1CA2CA7CA9
SCHEMBL8339188 0.82 CA12 (0.46) CA12CA1CA2CA7CA9
SCHEMBL7202434 0.80 CA12 (0.44) CA12CA1CA2CA7CA9
SCHEMBL5334826 0.77 CA12 (0.46) CA12CA1CA2CA7CA9
SCHEMBL521682 0.76 TSHR (0.46) CA12CA1CA2CA7CA9
SCHEMBL12921185 0.76 KDM4E (0.50) CA12CA1CA2CA7CA9
SCHEMBL11696970 0.76 CA12 (0.41) CA12CA1CA2CA7CA9
SCHEMBL162169 0.76 CA12 (0.41) CA12CA1CA2CA7CA9
Dacthal SCHEMBL8539721 0.76 CA12 (0.41) CA12CA1CA2CA7CA9

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2415741-A1 METHOD FOR PRODUCING ALCOHOL COMPOUND Sumitomo Chemical Company, Limited (JP) 2012-02-08 EP disclosed
US-20120029195-A1 METHOD FOR PRODUCING ALCOHOL COMPOUND AND CATALYST THEREFOR SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-02-02 US disclosed
US-20120010417-A1 METHOD FOR PRODUCING ALCOHOL COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-01-12 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 (2 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-20120010417-A1 METHOD FOR PRODUCING ALCOHOL COMPOUND ADH1A, ADH1C, ADH5 CA12 528/4885CA1 335/4885CA2 995/4885
US-20120029195-A1 METHOD FOR PRODUCING ALCOHOL COMPOUND AND CATALYST THEREFOR ADH1A, ADH1C, ADH5 CA12 2076/4885CA1 1406/4885CA2 2955/4885

“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.