SCHEMBL18288653

SCHEMBL18288653

CCCCN(CCOC)C(=O)[C@H](C)OC(=O)/C=C/C(=O)O[C@@H](C)C(=O)N(CCOC)CCOC

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.38
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP3 P08254 1/20 0.36
MMP8 P22894 1/20 0.36
HCAR2 Q8TDS4 4/20 0.34
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA9 Q16790 2/20 0.34
ALDH1A1 P00352 1/20 0.31
CCKAR P32238 1/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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 0.91 CA12 (0.40) ATMMMP1MMP2MMP3MMP8
SCHEMBL18292190 0.91 HCAR2 (0.40) HCAR2ALDH1A1
SCHEMBL2609713 0.87 HCAR2 (0.41) HCAR2ALDH1A1
SCHEMBL2609716 0.87 HCAR2 (0.41) HCAR2ALDH1A1
SCHEMBL2117108 0.85 HCAR2 (0.51) HCAR2ALDH1A1MAPT
SCHEMBL2117113 0.85 HCAR2 (0.51) HCAR2ALDH1A1MAPT
SCHEMBL18288682 0.81 HCAR2 (0.38) ATMHCAR2CA12CA1CA9
SCHEMBL17777291 0.77 HCAR2 (0.37) HCAR2ALDH1A1
SCHEMBL23241113 0.76 ALDH1A1 (0.33) ATMALDH1A1
SCHEMBL18288701 0.74 ALDH1A1 (0.50) ATMMMP1MMP2MMP3MMP8

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 1 patent. 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

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 ATM 4406/4885MMP1 955/4885MMP2 2658/4885

“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.