SCHEMBL522151

SCHEMBL522151

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

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 7/20 0.71
TSHR P16473 6/20 0.45
TDP1 Q9NUW8 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
LMNA P02545 4/20 0.42
MAPK1 P28482 3/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP2D6 P10635 1/20 0.42
NR1H2 P55055 1/20 0.42
RNASEL Q05823 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CYP3A4 P08684 3/20 0.41
CYP2C9 P11712 1/20 0.41
PDE4D Q08499 1/20 0.41
ALDH1A1 P00352 4/20 0.41
TP53 P04637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL522646 0.90 ESR1 (0.56) ESR1TSHRTDP1LMNAMAPK1
SCHEMBL523335 0.89 ESR1 (0.86) ESR1TSHRTDP1L3MBTL1LMNA
SCHEMBL17367633 0.88 ESR1 (0.83) ESR1TSHRTDP1L3MBTL1LMNA
SCHEMBL8345769 0.84 ESR1 (0.77) ESR1TSHRTDP1L3MBTL1LMNA
SCHEMBL523238 0.82 ESR1 (0.46) ESR1TSHRTDP1MAPK1CYP1A2
SCHEMBL10339657 0.81 ESR1 (0.72) ESR1TSHRLMNAMAPK1CYP3A4
SCHEMBL31290294 0.81 ESR1 (0.72) ESR1TSHRLMNAMAPK1CYP3A4
SCHEMBL522911 0.78 ESR1 (0.67) ESR1TSHRTDP1L3MBTL1LMNA
SCHEMBL11004877 0.78 ESR1 (0.66) ESR1TSHRTDP1L3MBTL1LMNA
SCHEMBL28961265 0.77 ESR1 (0.67) ESR1TSHRTDP1L3MBTL1LMNA

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 2946/4885TSHR 2221/4885TDP1 3832/4885
US-20120029195-A1 METHOD FOR PRODUCING ALCOHOL COMPOUND AND CATALYST THEREFOR ADH1A, ADH1C, ADH5 ESR1 1456/4885TSHR 2411/4885TDP1 3331/4885

“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.