SCHEMBL2542736

SCHEMBL2542736

CCNC(=O)/C=C/C(C)=O

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A19 Q695T7 1/20 0.40
ALDH1A1 P00352 3/20 0.38
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP3 P08254 1/20 0.36
MMP9 P14780 1/20 0.36
MMP8 P22894 1/20 0.36
KMT2A Q03164 1/20 0.34
PPARG P37231 2/20 0.34
PPARD Q03181 2/20 0.34
PPARA Q07869 2/20 0.34
MCL1 Q07820 1/20 0.33
CNR2 P34972 4/20 0.33
CNR1 P21554 3/20 0.33
LMNA P02545 1/20 0.32
GFPT1 Q06210 1/20 0.32
FAAH O00519 1/20 0.32
AURKA O14965 1/20 0.32
CYP3A4 P08684 1/20 0.32

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
SCHEMBL2542740 1.00 SLC6A19 (0.40) SLC6A19ALDH1A1MMP1MMP2MMP3
SCHEMBL1395636 0.89 SLC6A19 (0.44) SLC6A19ALDH1A1MMP1MMP2MMP3
SCHEMBL2535335 0.89 SLC6A19 (0.44) SLC6A19ALDH1A1MMP1MMP2MMP3
SCHEMBL1395660 0.89 SLC6A19 (0.44) SLC6A19ALDH1A1MMP1MMP2MMP3
SCHEMBL26700000 0.81 ALDH1A1 (0.39) ALDH1A1KMT2ALMNA
SCHEMBL26700014 0.80 FAAH (0.40) ALDH1A1KMT2AMCL1CNR2CNR1
SCHEMBL26700010 0.80 FAAH (0.40) ALDH1A1KMT2AMCL1CNR2CNR1
SCHEMBL5175055 0.80 SLC6A19 (0.40) SLC6A19ALDH1A1MMP1MMP2MMP3
SCHEMBL1395639 0.80 ALDH1A1 (0.53) ALDH1A1KMT2ALMNA
SCHEMBL5174543 0.80 SLC6A19 (0.40) SLC6A19ALDH1A1MMP1MMP2MMP3

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 1 patent. 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

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 SLC6A19 247/4885ALDH1A1 153/4885MMP1 4856/4885

“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.