SCHEMBL18355271

SCHEMBL18355271

COC(=O)/C=C/C(=O)OC[C@H](OC(=O)NCc1ccccc1)C(C)C

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.45
CASP3 P42574 2/20 0.42
ALDH1A1 P00352 2/20 0.42
LMNA P02545 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL18352526 0.96 MAPT (0.51) MAPTL3MBTL1CASP3ALDH1A1LMNA
SCHEMBL18355267 0.88 MAPT (0.50) MAPTL3MBTL1CASP3ALDH1A1
SCHEMBL18353030 0.84 MAPT (0.53) MAPTL3MBTL1CASP3ALDH1A1
SCHEMBL18355463 0.83 LMNA (0.42) MAPTCASP3ALDH1A1LMNACYP2D6
SCHEMBL18354908 0.79 HCAR2 (0.38)
SCHEMBL18364216 0.79 MAPT (0.61) MAPTL3MBTL1ALDH1A1LMNACYP2D6
SCHEMBL18364242 0.79 MAPT (0.61) MAPTL3MBTL1ALDH1A1LMNACYP2D6
SCHEMBL18364210 0.79 MAPT (0.61) MAPTL3MBTL1ALDH1A1LMNACYP2D6
SCHEMBL18352649 0.79 LMNA (0.44) MAPTCASP3ALDH1A1LMNACYP2D6
SCHEMBL18364308 0.79 MAPT (0.57) MAPTL3MBTL1ALDH1A1CYP2C19

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 MAPT 8/4885L3MBTL1 4164/4885CASP3 3060/4885

“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.