SCHEMBL18009235

SCHEMBL18009235

O=C(/C=C/C(=O)OCC1CNC(=O)O1)OCc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.64
HCAR2 Q8TDS4 4/20 0.52
PKM P14618 1/20 0.47
MAPT P10636 1/20 0.45
ALDH1A1 P00352 2/20 0.44
AKR1B10 O60218 2/20 0.44
AKR1B1 P15121 2/20 0.44
USP2 O75604 1/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CA12 O43570 1/20 0.44
CA4 P22748 1/20 0.44
CA6 P23280 1/20 0.44
CA5A P35218 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
CA5B Q9Y2D0 1/20 0.44
POLB P06746 1/20 0.43
MGLL Q99685 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
SCHEMBL18009229 0.86 LMNA (0.52) LMNAHCAR2PKMMAPTALDH1A1
SCHEMBL18009245 0.85 LMNA (0.47) LMNAPKMMAPTALDH1A1USP2
SCHEMBL18009225 0.85 LMNA (0.47) LMNAPKMMAPTALDH1A1USP2
SCHEMBL18009253 0.85 LMNA (0.47) LMNAPKMMAPTALDH1A1USP2
SCHEMBL17966456 0.83 LMNA (0.46) LMNAHCAR2PKMMAPTALDH1A1
SCHEMBL17966455 0.83 LMNA (0.46) LMNAHCAR2PKMMAPTALDH1A1
SCHEMBL17911959 0.80 HCAR2 (0.62) LMNAHCAR2ALDH1A1AKR1B10AKR1B1
SCHEMBL17911960 0.80 HCAR2 (0.62) LMNAHCAR2ALDH1A1AKR1B10AKR1B1
SCHEMBL18009349 0.79 LMNA (0.45) LMNAHCAR2PKMMAPTALDH1A1
SCHEMBL18009230 0.79 LMNA (0.48) LMNAHCAR2PKMMAPTMAOA

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 4358/4885HCAR2 290/4885PKM 1071/4885

“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.