SCHEMBL16631729

SCHEMBL16631729

C=CC(C)C(NOCc1ccccc1)C(=O)OC

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.46
ALDH1A1 P00352 2/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
MAPT P10636 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ANPEP P15144 1/20 0.40
MIF P14174 1/20 0.40
THRB P10828 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HSD17B10 Q99714 1/20 0.39
LTA4H P09960 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
ACHE P22303 1/20 0.39

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
SCHEMBL724209 0.76 ALDH1A1 (0.50) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL28594629 0.75 CTSL (0.52) TRPM8ALDH1A1NPC1RAB9AL3MBTL1
SCHEMBL27547818 0.75 NPC1 (0.44) ALDH1A1NPC1RAB9ACYP2C9CYP2C19
SCHEMBL7455071 0.75 CTSL (0.55) TRPM8RAB9ACYP2C9CYP2C19MEN1
SCHEMBL22469405 0.75 CTSL (0.55) TRPM8RAB9ACYP2C9CYP2C19MEN1
SCHEMBL28581036 0.75 MME (0.49) ALDH1A1NPC1RAB9ACYP2C9CYP2C19
SCHEMBL15561276 0.74 ALDH1A1 (0.46) TRPM8ALDH1A1MAPTL3MBTL1MIF
SCHEMBL7445411 0.73 CTSB (0.48) ALDH1A1NPC1RAB9AANPEPCYP2C9
SCHEMBL9657507 0.73 SYK (0.52) MAPT
SCHEMBL10659989 0.72 CA1 (0.53) ALDH1A1NPC1RAB9ACYP2C9CYP2C19

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-20160264614-A1 POLYNUCLEOTIDE MOLECULES AND USES THEREOF MODERNA THERAPEUTICS, INC. (US) 2016-09-15 US disclosed
WO-2015051173-A2 POLYNUCLEOTIDE MOLECULES AND USES THEREOF MODERNA THERAPEUTICS, INC (US) 2015-04-09 WO 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-20160264614-A1 POLYNUCLEOTIDE MOLECULES AND USES THEREOF POLRMT, POLN, NSUN3 TRPM8 3855/4885ALDH1A1 4189/4885NPC1 1636/4885

“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.