SCHEMBL522218

SCHEMBL522218

COC(=O)c1cc(Cl)cc(CO)c1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.45
SLC6A3 Q01959 1/20 0.45
ABL1 P00519 1/20 0.44
SERPINH1 P50454 1/20 0.43
PDK2 Q15119 1/20 0.42
ALDH1A1 P00352 3/20 0.40
HPGD P15428 3/20 0.40
MAPT P10636 3/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
XBP1 P17861 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39
KDM4E B2RXH2 3/20 0.39
NR4A2 P43354 2/20 0.39
HSD17B10 Q99714 2/20 0.39
GAA P10253 2/20 0.38
CYP1A2 P05177 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
SCHEMBL30810313 0.83 KDM4E (0.48) SLC6A4SLC6A3ABL1SERPINH1ALDH1A1
SCHEMBL19612138 0.83 KDM4E (0.48) SLC6A4SLC6A3ABL1SERPINH1ALDH1A1
SCHEMBL16960452 0.79 ABL1 (0.60) SLC6A4SLC6A3ABL1PDK2ALDH1A1
SCHEMBL542788 0.78 ALDH1A1 (0.56) PDK2ALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL15390723 0.77 ABL1 (0.47) SLC6A4SLC6A3ABL1SERPINH1PDK2
SCHEMBL2657833 0.77 ABL1 (0.47) SLC6A4SLC6A3ABL1SERPINH1PDK2
SCHEMBL16955180 0.76 LMNA (0.49) SLC6A4SLC6A3PDK2ALDH1A1HPGD
SCHEMBL30810266 0.76 HPGD (0.50) SLC6A4SLC6A3ABL1SERPINH1PDK2
SCHEMBL9662171 0.75 GAA (0.47) SLC6A4SLC6A3ABL1PDK2ALDH1A1
SCHEMBL176841 0.75 ABL1 (0.64) SLC6A4SLC6A3ABL1SERPINH1PDK2

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 SLC6A4 683/4885SLC6A3 980/4885ABL1 749/4885
US-20120029195-A1 METHOD FOR PRODUCING ALCOHOL COMPOUND AND CATALYST THEREFOR ADH1A, ADH1C, ADH5 SLC6A4 1704/4885SLC6A3 2775/4885ABL1 2049/4885

“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.