SCHEMBL18364183

SCHEMBL18364183

CCNC(=O)N(CC)CCOC(=O)/C=C/C(=O)Oc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ZDHHC2 Q9UIJ5 1/20 0.46
ALDH1A1 P00352 5/20 0.43
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
LMNA P02545 4/20 0.43
MAPT P10636 3/20 0.43
THRB P10828 1/20 0.43
HCAR2 Q8TDS4 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
BCHE P06276 1/20 0.37
CHRM2 P08172 1/20 0.37
NPC1 O15118 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 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
SCHEMBL18364208 0.86 ZDHHC2 (0.50) ZDHHC2ALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL18364235 0.86 LMNA (0.44) ZDHHC2ALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL18364787 0.85 ATM (0.44) ZDHHC2ALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL18364154 0.81 HCAR2 (0.41) ALDH1A1KDM4EHPGDSMN1; SMN2MAPT
SCHEMBL18364186 0.81 HCAR2 (0.44) ALDH1A1KDM4EHPGDSMN1; SMN2LMNA
SCHEMBL18364876 0.78 ATM (0.49) ZDHHC2ALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL18364193 0.78 ZDHHC2 (0.52) ZDHHC2ALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL18364163 0.78 HCAR2 (0.41) ALDH1A1KDM4EHPGDSMN1; SMN2MAPT
SCHEMBL29031678 0.76 HCAR2 (0.59) ZDHHC2ALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL18364207 0.75 ZDHHC2 (0.49) ZDHHC2ALDH1A1HPGDSMN1; SMN2LMNA

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-20170008835-A1 FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE Nguyen, Mark Quang (US) 2017-01-12 US disclosed
US-20170008835-A1 FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE Nguyen, Mark Quang (US) 2017-01-12 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 (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-20170008835-A1 FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE FH, FPGS, APC ZDHHC2 153/4885ALDH1A1 1949/4885KDM4E 3556/4885

“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.