SCHEMBL522646

SCHEMBL522646

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.56
MAPT P10636 2/20 0.42
ALDH1A1 P00352 3/20 0.42
LMNA P02545 1/20 0.41
TSHR P16473 2/20 0.40
CHRM1 P11229 1/20 0.40
SLC6A2 P23975 1/20 0.40
KDR P35968 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
MAPK1 P28482 1/20 0.37
GRM6 O15303 1/20 0.35
ADORA3 P0DMS8 5/20 0.35
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 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
SCHEMBL522151 0.90 ESR1 (0.71) ESR1ALDH1A1LMNATSHRTDP1
SCHEMBL522911 0.89 ESR1 (0.67) ESR1MAPTALDH1A1LMNATSHR
SCHEMBL19795495 0.87 ESR1 (0.65) ESR1MAPTALDH1A1LMNATSHR
SCHEMBL523238 0.85 ESR1 (0.46) ESR1MAPTALDH1A1TSHRTDP1
SCHEMBL9785522 0.84 ESR1 (0.54) ESR1MAPTALDH1A1LMNATSHR
SCHEMBL8348591 0.83 ESR1 (0.59) ESR1MAPTALDH1A1LMNATSHR
SCHEMBL19795492 0.81 ESR1 (0.59) ESR1MAPTALDH1A1LMNATSHR
SCHEMBL521688 0.77 TSHR (0.58) ESR1MAPTALDH1A1LMNATSHR
SCHEMBL523335 0.77 ESR1 (0.86) ESR1ALDH1A1LMNATSHRTDP1
SCHEMBL12972452 0.76 ESR1 (0.53) ESR1MAPTALDH1A1LMNATSHR

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 2946/4885MAPT 1818/4885ALDH1A1 18/4885
US-20120029195-A1 METHOD FOR PRODUCING ALCOHOL COMPOUND AND CATALYST THEREFOR ADH1A, ADH1C, ADH5 ESR1 1456/4885MAPT 2830/4885ALDH1A1 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.