SCHEMBL728466

SCHEMBL728466

OCc1ccc(OF)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.54
PPARG P37231 2/20 0.44
PPARA Q07869 2/20 0.44
TSHR P16473 1/20 0.43
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
VHL P40337 1/20 0.38
ELOC Q15369 1/20 0.38
ELOB Q15370 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
CA7 P43166 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
SCHEMBL5342317 0.78 LTA4H (0.81) LTA4HPPARGPPARATSHRMEN1
SCHEMBL41775 0.76 TSHR (0.67) LTA4HPPARGPPARATSHRPRSS1
SCHEMBL15417600 0.76 LTA4H (0.62) LTA4HPPARGPPARATSHRMEN1
SCHEMBL18231257 0.75 LTA4H (0.50) LTA4HPPARGPPARATSHRMEN1
SCHEMBL6278014 0.74 LTA4H (0.54) LTA4HPPARGPPARATSHRMEN1
SCHEMBL13415674 0.74 SMN1; SMN2 (0.45) TSHRCA2
SCHEMBL16902869 0.74 LTA4H (0.54) LTA4HPPARGPPARATSHRMEN1
SCHEMBL11649743 0.74 HRH3 (0.56) LTA4HPPARGPPARATSHRMEN1
SCHEMBL4181089 0.74 IDO1 (0.58) LTA4HTSHRCA12CA1CA2
SCHEMBL27329 0.74 IDO1 (0.58) LTA4HTSHRCA12CA1CA2

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
US-8138370-B2 Method of producing optically active α-amino acid benzyl esters SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-03-20 US disclosed
US-20100010254-A1 METHOD OF PRODUCING OPTICALLY ACTIVE ALPHA-AMINO ACID BENZYL ESTERS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-01-14 US disclosed
EP-2062873-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE ALPHA-AMINO ACID BENZYL ESTER Sumitomo Chemical Company, Limited (JP) 2009-05-27 EP 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 (1 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-20100010254-A1 METHOD OF PRODUCING OPTICALLY ACTIVE ALPHA-AMINO ACID BENZYL ESTERS BCAT1, BCAT2, AADAT LTA4H 1643/4885PPARG 1546/4885PPARA 618/4885

“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.