SCHEMBL522217

SCHEMBL522217

COC(=O)c1cc(Cl)c(CO)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.46
HTT P42858 2/20 0.43
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.42
ABL1 P00519 1/20 0.41
LMNA P02545 3/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDM4E B2RXH2 2/20 0.40
NR4A2 P43354 1/20 0.40
MAPT P10636 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
HPGD P15428 2/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL9662171 0.87 GAA (0.47) GAAHTTALDH1A1TSHRABL1
SCHEMBL15543978 0.85 GAA (0.43) GAAHTTALDH1A1ABL1MEN1
SCHEMBL17632695 0.85 GAA (0.50) GAAHTTALDH1A1TSHRLMNA
SCHEMBL70011 0.84 GAA (0.58) GAAHTTALDH1A1TSHRABL1
SCHEMBL6958927 0.84 HTT (0.46) GAAHTTALDH1A1TSHRABL1
SCHEMBL19328690 0.81 GAA (0.55) GAAHTTALDH1A1TSHRABL1
SCHEMBL71501 0.78 GAA (0.52) GAAHTTALDH1A1TSHRABL1
SCHEMBL26970038 0.78 GAA (0.38) GAAHTTALDH1A1TSHRABL1
SCHEMBL11222239 0.77 GAA (0.51) GAAHTTALDH1A1TSHRABL1
SCHEMBL542787 0.77 ALDH1A1 (0.45) HTTALDH1A1TSHRLMNAMEN1

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 GAA 4427/4885HTT 3821/4885ALDH1A1 18/4885
US-20120029195-A1 METHOD FOR PRODUCING ALCOHOL COMPOUND AND CATALYST THEREFOR ADH1A, ADH1C, ADH5 GAA 3855/4885HTT 4376/4885ALDH1A1 33/4885

“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.