SCHEMBL18355463

SCHEMBL18355463

COC(=O)/C=C/C(=O)OC[C@H](OC(=O)Nc1ccccc1)C(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.42
ALDH1A1 P00352 4/20 0.42
CYP1A2 P05177 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C19 P33261 2/20 0.40
DRD4 P21917 1/20 0.40
SLC6A2 P23975 1/20 0.40
CCKAR P32238 1/20 0.40
OPRM1 P35372 1/20 0.40
DRD3 P35462 1/20 0.40
SCN1A P35498 1/20 0.40
OPRK1 P41145 1/20 0.40
HTR2B P41595 1/20 0.40
SLC6A3 Q01959 1/20 0.40
KCNH2 Q12809 1/20 0.40
SCN2A Q99250 1/20 0.40
SCN3A Q9NY46 1/20 0.40
CYP3A4 P08684 1/20 0.40
CASP3 P42574 2/20 0.40
MAPT P10636 2/20 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
SCHEMBL18352649 0.96 LMNA (0.44) LMNAALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL18355346 0.87 LMNA (0.46) LMNAALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL18355271 0.83 MAPT (0.48) LMNAALDH1A1CYP2D6CYP2C19CASP3
SCHEMBL18353145 0.83 LMNA (0.49) LMNAALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL18352526 0.79 MAPT (0.51) LMNAALDH1A1CYP2D6CYP2C19CASP3
SCHEMBL18355352 0.78 HCAR2 (0.41) ALDH1A1MAPTSMN1; SMN2HTTGAA
SCHEMBL18364245 0.78 HSD17B10 (0.49) LMNAALDH1A1CYP2C19MAPTTHRB
SCHEMBL18364263 0.78 HSD17B10 (0.49) LMNAALDH1A1CYP2C19MAPTTHRB
SCHEMBL18364349 0.78 HSD17B10 (0.49) LMNAALDH1A1CYP2C19MAPTTHRB
SCHEMBL18364299 0.78 HSD17B10 (0.46) LMNAALDH1A1CYP2C19MAPTTHRB

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-20170001953-A1 FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE Nguyen, Mark Quang (US) 2017-01-05 US disclosed
US-20170001953-A1 FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE Nguyen, Mark Quang (US) 2017-01-05 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-20170001953-A1 FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE FH, FPGS, APC LMNA 4358/4885ALDH1A1 1949/4885CYP1A2 1195/4885

“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.