SCHEMBL18364432

SCHEMBL18364432

CCNC(=O)NCCCCOC(=O)/C=C/C(=O)OC

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.49
HCAR2 Q8TDS4 4/20 0.46
EPHX2 P34913 2/20 0.43
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
EPHX1 P07099 4/20 0.42
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
ACHE P22303 6/20 0.40
ZDHHC20 Q5W0Z9 1/20 0.40
ZDHHC2 Q9UIJ5 1/20 0.40

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
SCHEMBL18364377 0.98 HCAR2 (0.47) ATMHCAR2EPHX2MAPTRAB9A
SCHEMBL18364364 0.98 HCAR2 (0.47) ATMHCAR2EPHX2MAPTRAB9A
SCHEMBL18364383 0.95 ATM (0.50) ATMHCAR2EPHX2MAPTRAB9A
SCHEMBL18364899 0.90 ATM (0.55) ATMHCAR2EPHX2MAPTRAB9A
SCHEMBL18364149 0.89 HCAR2 (0.45) ATMHCAR2EPHX2MAPTRAB9A
SCHEMBL18364370 0.86 ATM (0.50) ATMHCAR2EPHX2MAPTRAB9A
SCHEMBL18364766 0.83 ATM (0.48) ATMHCAR2EPHX2MAPTRAB9A
SCHEMBL17081963 0.83 TSHR (0.56) EPHX2EPHX1ACHEZDHHC20ZDHHC2
SCHEMBL18364430 0.82 EPHX1 (0.51) ATMHCAR2EPHX2MAPTRAB9A
SCHEMBL18364366 0.81 ATM (0.47) ATMHCAR2EPHX2MAPTRAB9A

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-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 ATM 4406/4885HCAR2 290/4885EPHX2 2144/4885

“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.