SCHEMBL18355254

SCHEMBL18355254

COC(=O)/C=C/C(=O)OCCCNC(=O)Oc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ZDHHC2 Q9UIJ5 1/20 0.51
NPC1 O15118 1/20 0.48
GAA P10253 1/20 0.48
RAB9A P51151 1/20 0.48
TAAR1 Q96RJ0 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
RECQL P46063 1/20 0.45
MEN1 O00255 1/20 0.44
HPGD P15428 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL18352683 0.95 ZDHHC2 (0.52) ZDHHC2NPC1GAARAB9ATAAR1
SCHEMBL18354871 0.92 TAAR1 (0.50) ZDHHC2NPC1GAARAB9ATAAR1
SCHEMBL18355458 0.91 ZDHHC2 (0.53) ZDHHC2L3MBTL1RECQL
SCHEMBL18354884 0.88 ZDHHC2 (0.47) ZDHHC2NPC1GAARAB9ATAAR1
SCHEMBL18352553 0.86 ZDHHC2 (0.48) ZDHHC2NPC1GAARAB9ATAAR1
SCHEMBL18354925 0.83 HTT (0.59) L3MBTL1
SCHEMBL18355438 0.83 MAPT (0.51) ZDHHC2NPC1GAARAB9ATAAR1
SCHEMBL18406536 0.81 ALDH1A1 (0.56) NPC1RAB9AHPGD
SCHEMBL18354907 0.80 ATM (0.50) RAB9A
SCHEMBL18354880 0.80 NPC1 (0.47) ZDHHC2NPC1GAARAB9ATAAR1

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-20170001953-A1 FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE Nguyen, Mark Quang (US) 2017-01-05 US disclosed
US-20170001953-A1 FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE Nguyen, Mark Quang (US) 2017-01-05 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-20170001953-A1 FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE FH, FPGS, APC ZDHHC2 153/4885NPC1 2073/4885GAA 418/4885

“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.