SCHEMBL523238

SCHEMBL523238

CCOC(=O)c1c(F)c(F)c(CO)c(F)c1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.44
HPGD P15428 4/20 0.44
ALDH1A1 P00352 4/20 0.44
MAPT P10636 3/20 0.44
GAA P10253 3/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
RAB9A P51151 3/20 0.43
NPSR1 Q6W5P4 3/20 0.43
NPC1 O15118 2/20 0.43
TP53 P04637 2/20 0.43
HSD17B10 Q99714 2/20 0.43
MITF O75030 1/20 0.43
RECQL P46063 1/20 0.43
NR1H2 P55055 1/20 0.43

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
SCHEMBL522227 0.88 ESR1 (0.55) ESR1SMN1; SMN2HPGDALDH1A1MAPT
Alcohol SCHEMBL28160506 0.86 SMN1; SMN2 (0.50) ESR1SMN1; SMN2HPGDALDH1A1MAPT
SCHEMBL196046 0.86 ESR1 (0.53) ESR1SMN1; SMN2HPGDALDH1A1MAPT
SCHEMBL522646 0.85 ESR1 (0.56) ESR1ALDH1A1MAPTCA1CA2
SCHEMBL522219 0.84 ESR1 (0.52) ESR1SMN1; SMN2HPGDALDH1A1MAPT
SCHEMBL9785586 0.83 ESR1 (0.45) ESR1SMN1; SMN2HPGDALDH1A1MAPT
SCHEMBL522151 0.82 ESR1 (0.71) ESR1SMN1; SMN2HPGDALDH1A1RAB9A
SCHEMBL9785613 0.81 NR1H2 (0.44) ESR1SMN1; SMN2HPGDALDH1A1MAPT
SCHEMBL6578769 0.81 SMN1; SMN2 (0.53) ESR1SMN1; SMN2HPGDALDH1A1MAPT
SCHEMBL2454093 0.80 ESR1 (0.68) ESR1SMN1; SMN2HPGDALDH1A1MAPT

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 ESR1 2946/4885SMN1; SMN2 4595/4885HPGD 619/4885
US-20120029195-A1 METHOD FOR PRODUCING ALCOHOL COMPOUND AND CATALYST THEREFOR ADH1A, ADH1C, ADH5 ESR1 1456/4885SMN1; SMN2 4872/4885HPGD 332/4885

“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.