SCHEMBL18364178

SCHEMBL18364178

CCNC(=O)NCCOC(=O)/C=C/C(=O)OCC

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 5/20 0.48
ATM Q13315 1/20 0.44
MAPT P10636 8/20 0.39
LMNA P02545 3/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 2/20 0.38
RAB9A P51151 1/20 0.38
MDM2 Q00987 2/20 0.38
EPHX2 P34913 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
MDM4 O15151 1/20 0.35

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
SCHEMBL18364766 0.95 ATM (0.48) HCAR2ATMMAPTNPSR1RAB9A
SCHEMBL18364370 0.90 ATM (0.50) HCAR2ATMMAPTNPSR1RAB9A
SCHEMBL18364149 0.90 HCAR2 (0.45) HCAR2ATMMAPTNPSR1RAB9A
SCHEMBL18364179 0.86 HCAR2 (0.48) HCAR2ATMMAPTLMNAHTT
SCHEMBL18364899 0.84 ATM (0.55) HCAR2ATMMAPTNPSR1RAB9A
SCHEMBL18364181 0.84 HCAR2 (0.43) HCAR2ATMMAPTLMNAHTT
SCHEMBL18364244 0.84 ATM (0.40) HCAR2ATMMAPTLMNANPSR1
SCHEMBL18364170 0.84 EPHX1 (0.47) HCAR2ATMMAPTLMNAHTT
SCHEMBL18364167 0.82 HCAR2 (0.52) HCAR2ATMMAPTLMNAHTT
SCHEMBL18355233 0.82 HCAR2 (0.52) HCAR2ATMMAPTL3MBTL1

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-20170008835-A1 FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE Nguyen, Mark Quang (US) 2017-01-12 US disclosed
US-20170008835-A1 FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE Nguyen, Mark Quang (US) 2017-01-12 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-20170008835-A1 FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE FH, FPGS, APC HCAR2 290/4885ATM 4406/4885MAPT 8/4885

“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.