SCHEMBL521630

SCHEMBL521630

CCCOC(=O)c1c(F)cc(CO)cc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
LMNA P02545 1/20 0.42
ESR1 P03372 4/20 0.41
TDP1 Q9NUW8 2/20 0.41
CHRM1 P11229 1/20 0.41
TSHR P16473 1/20 0.41
SLC6A2 P23975 1/20 0.41
KDR P35968 1/20 0.41
MAPT P10636 1/20 0.40
NR1H2 P55055 1/20 0.39
NR1H3 Q13133 1/20 0.39
CYP4F2 P78329 2/20 0.38
CYP4A11 Q02928 2/20 0.38
PRKCA P17252 2/20 0.38
PRKCD Q05655 2/20 0.38
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
MAOB P27338 1/20 0.38
AKR1C4 P17516 1/20 0.36
AKR1C3 P42330 1/20 0.36

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
SCHEMBL31590871 0.84 ALDH1A1 (0.47) ALDH1A1LMNAESR1TDP1CHRM1
SCHEMBL19795485 0.79 ESR1 (0.51) ALDH1A1LMNAESR1TDP1CHRM1
SCHEMBL19795497 0.77 ESR1 (0.53) ALDH1A1LMNAESR1TDP1CHRM1
SCHEMBL10186105 0.77 ESR1 (0.61) LMNAESR1TDP1TSHRNR1H2
SCHEMBL31590766 0.75 ESR1 (0.58) LMNAESR1TDP1TSHRNR1H2
SCHEMBL522911 0.74 ESR1 (0.67) ALDH1A1LMNAESR1TDP1CHRM1
SCHEMBL11004733 0.73 ALDH1A1 (0.58) ALDH1A1LMNAESR1TDP1CHRM1
SCHEMBL522646 0.72 ESR1 (0.56) ALDH1A1LMNAESR1TDP1CHRM1
SCHEMBL8348591 0.72 ESR1 (0.59) ALDH1A1LMNAESR1TDP1CHRM1
SCHEMBL19795495 0.72 ESR1 (0.65) ALDH1A1LMNAESR1TDP1CHRM1

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 ALDH1A1 18/4885LMNA 3279/4885ESR1 2946/4885
US-20120029195-A1 METHOD FOR PRODUCING ALCOHOL COMPOUND AND CATALYST THEREFOR ADH1A, ADH1C, ADH5 ALDH1A1 33/4885LMNA 4306/4885ESR1 1456/4885

“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.