SCHEMBL18355459

SCHEMBL18355459

COC(=O)/C=C/C(=O)OCCCN(C)C(=O)Oc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 1/20 0.46
LMNA P02545 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ZDHHC2 Q9UIJ5 1/20 0.41
LTA4H P09960 1/20 0.39
HCAR2 Q8TDS4 1/20 0.39
ACHE P22303 5/20 0.38
BCHE P06276 1/20 0.38
MAPT P10636 1/20 0.38
THRB P10828 1/20 0.38
MAOB P27338 1/20 0.37
ATM Q13315 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL18352518 0.95 ALDH1A1 (0.46) ALDH1A1KDM4ELMNASMN1; SMN2ZDHHC2
SCHEMBL18354901 0.92 ALDH1A1 (0.44) ALDH1A1KDM4ELMNASMN1; SMN2ZDHHC2
SCHEMBL18353003 0.87 ALDH1A1 (0.48) ALDH1A1KDM4ELMNASMN1; SMN2ZDHHC2
SCHEMBL18355349 0.84 HCAR2 (0.49) ALDH1A1KDM4ELMNASMN1; SMN2HCAR2
SCHEMBL18355259 0.84 ATM (0.47) ALDH1A1KDM4ELMNASMN1; SMN2HCAR2
SCHEMBL18352681 0.81 ATM (0.50) ALDH1A1KDM4ELMNASMN1; SMN2HCAR2
SCHEMBL18364466 0.80 NPY5R (0.46) ALDH1A1KDM4ELMNASMN1; SMN2ACHE
SCHEMBL18364404 0.78 MAPT (0.48) ALDH1A1KDM4ELMNASMN1; SMN2HCAR2
SCHEMBL18353023 0.78 HCAR2 (0.54) ALDH1A1KDM4ELMNAHCAR2MAPT
SCHEMBL18355254 0.77 ZDHHC2 (0.51) ZDHHC2L3MBTL1

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 ALDH1A1 1949/4885KDM4E 3556/4885LMNA 4358/4885

“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.