SCHEMBL2049968

SCHEMBL2049968

CCCC(C[O])(C(=O)c1ccccc1)C(=O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 10/20 0.44
CTNNB1 P35222 1/20 0.43
CES2 O00748 7/20 0.43
LMNA P02545 1/20 0.42
SRC P12931 1/20 0.41
GAA P10253 1/20 0.39
ALOX12 P18054 1/20 0.39
CYP2C19 P33261 1/20 0.39
MAPT P10636 2/20 0.38
HPGD P15428 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
NAAA Q02083 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
CYP3A4 P08684 1/20 0.38
ALOX15 P16050 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 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
SCHEMBL21747501 0.83 NPSR1 (0.48) CES1CTNNB1LMNASRCGAA
SCHEMBL8459655 0.78 CTNNB1 (0.61) CES1CTNNB1CES2LMNASRC
SCHEMBL30877132 0.78 CES1 (0.51) CES1CTNNB1CES2LMNAGAA
SCHEMBL27447166 0.77 CES1 (0.47) CES1CES2LMNASRCGAA
SCHEMBL10458191 0.77 GAA (0.53) CES1CES2LMNASRCGAA
SCHEMBL10471882 0.77 SRC (0.47) CES1CES2LMNASRCGAA
SCHEMBL28442493 0.77 CES1 (0.47) CES1CES2LMNASRCGAA
SCHEMBL9617688 0.76 SRC (0.46) CES1CES2LMNASRCGAA
SCHEMBL9630992 0.76 CES1 (0.45) CES1CTNNB1CES2LMNASRC
SCHEMBL7088571 0.75 CTNNB1 (0.54) CES1CTNNB1CES2LMNASRC

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8796339-B2 Compositions comprising benzyl alcohol derivatives and further antimicrobial active compounds SYMRISE AG (DE) 2014-08-05 US disclosed
US-20110152383-A1 COMPOSITIONS COMPRISING BENZYL ALCOHOL DERIVATIVES AND FURTHER ANTIMICROBIAL ACTIVE COMPOUNDS SYMRISE AG (DE) 2011-06-23 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 (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-20110152383-A1 COMPOSITIONS COMPRISING BENZYL ALCOHOL DERIVATIVES AND FURTHER ANTIMICROBIAL ACTIVE COMPOUNDS UNC93B1, ECI1, IL4I1 CES1 216/4885CTNNB1 2989/4885CES2 39/4885

“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.