SCHEMBL18288672

SCHEMBL18288672

CN(C)C(=O)[C@@H](OC(=O)/C=C/C(=O)O[C@H](C(=O)N(C)C)C1CCCCC1)C1CCCCC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.35
EPHX1 P07099 1/20 0.32
CTSK P43235 1/20 0.32
MEN1 O00255 1/20 0.32
MITF O75030 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPT P10636 1/20 0.32
ALOX15 P16050 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
NLRP1 Q9C000 1/20 0.32
GPR55 Q9Y2T6 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 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
SCHEMBL18288673 1.00 HCAR2 (0.35) HCAR2EPHX1CTSKMEN1MITF
SCHEMBL18288689 0.83 OPRM1 (0.33) HCAR2EPHX1CTSKMEN1MITF
SCHEMBL18288699 0.83 OPRM1 (0.33) HCAR2EPHX1CTSKMEN1MITF
SCHEMBL1050591 0.74 HCAR2 (0.47) HCAR2EPHX1MEN1MITFLMNA
SCHEMBL1050594 0.74 HCAR2 (0.47) HCAR2EPHX1MEN1MITFLMNA
SCHEMBL7041364 0.72 EPHX2 (0.35) HCAR2MEN1MITFLMNATP53
SCHEMBL6023045 0.69 HCAR2 (0.60) HCAR2EPHX1MEN1MITFLMNA
SCHEMBL27556238 0.69 HCAR2 (0.60) HCAR2EPHX1MEN1MITFLMNA
SCHEMBL4641781 0.69 HCAR2 (0.38) HCAR2TP53NPSR1
SCHEMBL4647644 0.69 HCAR2 (0.38) HCAR2TP53NPSR1

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 290/4885EPHX1 2795/4885CTSK 1141/4885

“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.