SCHEMBL18354871

SCHEMBL18354871

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

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
GAA P10253 1/20 0.50
ZDHHC2 Q9UIJ5 1/20 0.47
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
FAAH O00519 2/20 0.42
HCAR2 Q8TDS4 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL18352553 0.94 ZDHHC2 (0.48) TAAR1NPC1RAB9AGAAZDHHC2
SCHEMBL18355254 0.92 ZDHHC2 (0.51) TAAR1NPC1RAB9AGAAZDHHC2
SCHEMBL18355438 0.90 MAPT (0.51) TAAR1NPC1RAB9AGAAZDHHC2
SCHEMBL18354880 0.87 NPC1 (0.47) TAAR1NPC1RAB9AGAAZDHHC2
SCHEMBL18352683 0.86 ZDHHC2 (0.52) TAAR1NPC1RAB9AGAAZDHHC2
SCHEMBL18364175 0.83 MTNR1A (0.60) RAB9AZDHHC2MTNR1AMTNR1BHCAR2
SCHEMBL16981272 0.83 THRB (0.59) TAAR1NPC1RAB9AGAAMTNR1A
SCHEMBL18355458 0.83 ZDHHC2 (0.53) ZDHHC2
SCHEMBL16092878 0.82 LMNA (0.65) HCAR2
SCHEMBL18364190 0.81 ZDHHC2 (0.50) NPC1RAB9AGAAZDHHC2MTNR1A

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 TAAR1 4866/4885NPC1 2073/4885RAB9A 2464/4885

“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.