SCHEMBL18009229

SCHEMBL18009229

O=C(/C=C/C(=O)Oc1ccccc1)OCC1CNC(=O)O1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.52
PKM P14618 1/20 0.48
USP2 O75604 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
HSD17B10 Q99714 1/20 0.45
MAPT P10636 1/20 0.43
MAOA P21397 1/20 0.43
SLC6A2 P23975 1/20 0.43
MGLL Q99685 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPK1 P28482 1/20 0.38
ZDHHC2 Q9UIJ5 1/20 0.38
IRAK4 Q9NWZ3 2/20 0.36
HCAR2 Q8TDS4 1/20 0.35
SYK P43405 1/20 0.34

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
SCHEMBL18009253 0.87 LMNA (0.47) LMNAPKMUSP2ALDH1A1HPGD
SCHEMBL18009225 0.87 LMNA (0.47) LMNAPKMUSP2ALDH1A1HPGD
SCHEMBL18009245 0.87 LMNA (0.47) LMNAPKMUSP2ALDH1A1HPGD
SCHEMBL18009235 0.86 LMNA (0.64) LMNAPKMUSP2ALDH1A1HPGD
SCHEMBL17966456 0.84 LMNA (0.46) LMNAPKMUSP2ALDH1A1HPGD
SCHEMBL17966455 0.84 LMNA (0.46) LMNAPKMUSP2ALDH1A1HPGD
SCHEMBL18009230 0.80 LMNA (0.48) LMNAPKMMAPTMAOASLC6A2
SCHEMBL18009349 0.80 LMNA (0.45) LMNAPKMUSP2ALDH1A1HPGD
SCHEMBL18009217 0.80 LMNA (0.45) LMNAPKMUSP2ALDH1A1HPGD
SCHEMBL18009352 0.80 LMNA (0.45) LMNAPKMUSP2ALDH1A1HPGD

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9630934-B2 Fumarate compounds, pharmaceutical compositions thereof, and methods of use Nguyen, Mark Quang (US) 2017-04-25 US disclosed
WO-2016127186-A1 FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE NGUYEN MARK QUANG (US) 2016-08-11 WO disclosed
US-20160229819-A1 FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE Nguyen, Mark Quang (US) 2016-08-11 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-20160229819-A1 FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE FH, FPGS, APC LMNA 4358/4885PKM 1071/4885USP2 1517/4885

“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.