SCHEMBL18364427

SCHEMBL18364427

CC(C)OC(=O)/C=C/C(=O)OCCCN(C)C(=O)NC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TXNRD1 Q16881 1/20 0.38
HCAR2 Q8TDS4 4/20 0.37
ATM Q13315 1/20 0.37
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
POLB P06746 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL18364903 0.91 ATM (0.44) TXNRD1HCAR2ATMMAPTRAB9A
SCHEMBL18364443 0.87 ATM (0.41) TXNRD1HCAR2ATMMAPTRAB9A
SCHEMBL18364444 0.85 HCAR2 (0.40) HCAR2ATMMAPTRAB9ANPSR1
SCHEMBL18364421 0.85 ATM (0.44) TXNRD1HCAR2ATMMAPTRAB9A
SCHEMBL18364413 0.84 HCAR2 (0.39) HCAR2ATMMAPTRAB9ANPSR1
SCHEMBL18352686 0.79 ATM (0.47) HCAR2ATMMAPTRAB9ANPSR1
SCHEMBL18364409 0.77 EPHX1 (0.39) HCAR2ATMLMNASMN1; SMN2ALDH1A1
SCHEMBL18364460 0.77 NPY5R (0.46) MAPTLMNAALDH1A1KDM4E
SCHEMBL18354879 0.77 ATM (0.42) HCAR2ATMMAPTRAB9ANPSR1
SCHEMBL18364888 0.76 ATM (0.44) HCAR2ATMMAPTRAB9ANPSR1

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 TXNRD1 271/4885HCAR2 290/4885ATM 4406/4885

“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.