SCHEMBL18288682

SCHEMBL18288682

CCCN(CCC)C(=O)[C@H](C)OC(=O)/C=C/C(=O)O[C@@H](C)C(=O)N(CCC)CCC

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 6/20 0.38
ALDH1A1 P00352 2/20 0.37
CA12 O43570 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
ATM Q13315 1/20 0.34
HPGD P15428 1/20 0.32
TP53 P04637 1/20 0.32
APP P05067 2/20 0.31
CA1 P00915 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
LMNA P02545 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL18288655 0.89 CA12 (0.40) HCAR2ALDH1A1CA12CA9TSHR
SCHEMBL18288690 0.85 ALDH1A1 (0.50) HCAR2ALDH1A1ATMLMNA
SCHEMBL18288701 0.85 ALDH1A1 (0.50) HCAR2ALDH1A1ATMLMNA
SCHEMBL18292190 0.82 HCAR2 (0.40) HCAR2ALDH1A1
SCHEMBL18288653 0.81 ATM (0.38) HCAR2ALDH1A1CA12CA9ATM
SCHEMBL23241118 0.79 ALDH1A1 (0.45) HCAR2ALDH1A1TDP1
SCHEMBL2609717 0.79 ALDH1A1 (0.45) HCAR2ALDH1A1TDP1
SCHEMBL17777292 0.79 ALDH1A1 (0.45) HCAR2ALDH1A1TDP1
SCHEMBL2609716 0.78 HCAR2 (0.41) HCAR2ALDH1A1
SCHEMBL2609713 0.78 HCAR2 (0.41) HCAR2ALDH1A1

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-20160355464-A1 FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE Nguyen, Mark Quang (US) 2016-12-08 US disclosed
US-20160355464-A1 FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE Nguyen, Mark Quang (US) 2016-12-08 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-20160355464-A1 FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE FH, FPGS, APC HCAR2 290/4885ALDH1A1 1949/4885CA12 1851/4885

“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.