SCHEMBL2351295

SCHEMBL2351295

COC(=O)/C=C/[C@H](C)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 4/20 0.47
HCAR2 Q8TDS4 1/20 0.44
RCE1 Q9Y256 1/20 0.44
PSMB5 P28074 1/20 0.42
SLC1A3 P43003 2/20 0.42
SLC1A2 P43004 2/20 0.42
SLC1A1 P43005 2/20 0.42
MEN1 O00255 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 1/20 0.42
LMNA P02545 1/20 0.42
MAP3K7 O43318 1/20 0.41
TAB1 Q15750 1/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 1/20 0.41
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40

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
SCHEMBL3127875 0.86 HCAR2 (0.51) HCAR2RCE1PSMB5SLC1A3SLC1A2
SCHEMBL3127891 0.86 HCAR2 (0.51) HCAR2RCE1PSMB5SLC1A3SLC1A2
SCHEMBL2541242 0.85 CTSL (0.52) CTSLHCAR2LMNAALDH1A1MAPT
SCHEMBL11189038 0.81 LMNA (0.54) CYP1A2CYP2C19LMNAALDH1A1
SCHEMBL11189022 0.81 LMNA (0.54) CYP1A2CYP2C19LMNAALDH1A1
SCHEMBL122159 0.79 CTSL (0.46) CTSLHCAR2SLC1A1KMT2AALDH1A1
SCHEMBL147688 0.79 CTSL (0.46) CTSLHCAR2SLC1A1KMT2AALDH1A1
SCHEMBL15502196 0.79 CTSL (0.41) CTSLHCAR2RCE1PSMB5CYP2C9
SCHEMBL11186694 0.78 CTSL (0.48) CTSLMEN1CYP1A2CYP2C9CYP2C19
SCHEMBL3941740 0.78 CTSL (0.43) CTSLHCAR2CYP2C9CYP2C19LMNA

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-20110263873-A1 Enantioselective Synthesis of y-amino-alpha beta-unsaturated carboxylic acid derivatives NOVARTIS AG (CH) 2011-10-27 US disclosed
EP-2358663-A1 ENANTIOSELECTIVE SYNTHESIS OF -AMINO- , -UNSATURATED CARBOXYLIC ACID DERIVATIVES Novartis AG (CH) 2011-08-24 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-20110263873-A1 Enantioselective Synthesis of y-amino-alpha beta-unsaturated carboxylic acid derivatives BCAT1, BCAT2, AADAT CTSL 3843/4885HCAR2 535/4885RCE1 2320/4885

“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.