SCHEMBL522356

SCHEMBL522356

CC(C)(C)OC(=O)c1c(Cl)c(Cl)c(C(=O)O)c(Cl)c1Cl

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRM6 O15303 1/20 0.36
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
STAT3 P40763 1/20 0.32
LMNA P02545 2/20 0.32
GLRA3 O75311 1/20 0.31
GLRB P48167 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
CA14 Q9ULX7 1/20 0.31
KMT2A Q03164 1/20 0.31
ADORA1 P30542 1/20 0.31
DGAT1 O75907 1/20 0.30

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
SCHEMBL522355 0.91 GRM6 (0.37) GRM6CYP2C9CYP2C19NPSR1LMNA
SCHEMBL16244892 0.89 GRM6 (0.36) GRM6CYP2C9CYP2C19NPSR1LMNA
SCHEMBL11757930 0.86 KDM4E (0.32) ALDH1A1KDM4EHSD17B10GLRA3GLRB
SCHEMBL6580237 0.82 GRM6 (0.40) GRM6ALDH1A1HSD17B10CYP2C9CYP2C19
SCHEMBL8939737 0.80
SCHEMBL28467235 0.78 CA12 (0.40) GRM6HSD17B10CYP2C9CYP2C19NPSR1
SCHEMBL27534695 0.77 GRM6 (0.37) GRM6ALDH1A1HSD17B10CYP2C9CYP2C19
Dacthal SCHEMBL8539721 0.76 CA12 (0.41) ALDH1A1KDM4EHSD17B10NPSR1LMNA
SCHEMBL162169 0.76 CA12 (0.41) ALDH1A1KDM4EHSD17B10NPSR1LMNA
SCHEMBL3829195 0.75 GRM6 (0.43) GRM6ALDH1A1KDM4ECYP2C9CYP2C19

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 GRM6 817/4885ALDH1A1 18/4885KDM4E 2660/4885
US-20120029195-A1 METHOD FOR PRODUCING ALCOHOL COMPOUND AND CATALYST THEREFOR ADH1A, ADH1C, ADH5 GRM6 2369/4885ALDH1A1 33/4885KDM4E 1708/4885

“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.