SCHEMBL3524038

SCHEMBL3524038

CC(C)(C)OC(=O)N1CCCCC1C(=O)c1cc(F)cc(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.47
NPC1 O15118 1/20 0.44
TAS1R3 Q7RTX0 1/20 0.44
TAS1R1 Q7RTX1 1/20 0.44
TAS1R2 Q8TE23 1/20 0.44
LMNA P02545 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
UCHL1 P09936 3/20 0.41
HSD17B10 Q99714 1/20 0.41
USP30 Q70CQ3 3/20 0.41
CACNA1G O43497 1/20 0.40
CACNA1H O95180 1/20 0.40
CACNA1I Q9P0X4 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
STS P08842 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
HRH2 P25021 1/20 0.38
HRH1 P35367 1/20 0.38
HSD11B1 P28845 1/20 0.38

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
SCHEMBL3524033 1.00 ALDH1A1 (0.47) ALDH1A1NPC1TAS1R3TAS1R1TAS1R2
SCHEMBL10132433 0.97 ALDH1A1 (0.50) ALDH1A1NPC1TAS1R3TAS1R1TAS1R2
SCHEMBL10132456 0.88 NPC1 (0.52) ALDH1A1NPC1LMNANPSR1UCHL1
SCHEMBL3532143 0.82 TAS1R3 (0.44) TAS1R3TAS1R1TAS1R2CACNA1GCACNA1H
SCHEMBL3532138 0.82 TAS1R3 (0.44) TAS1R3TAS1R1TAS1R2CACNA1GCACNA1H
SCHEMBL10132381 0.80 ALDH1A1 (0.54) ALDH1A1NPC1TAS1R3TAS1R1TAS1R2
SCHEMBL10132254 0.80 UCHL1 (0.53) ALDH1A1NPC1LMNANPSR1UCHL1
SCHEMBL10132357 0.80 ALDH1A1 (0.56) ALDH1A1NPC1LMNANPSR1UCHL1
SCHEMBL10132339 0.79 NPC1 (0.56) ALDH1A1NPC1LMNANPSR1UCHL1
SCHEMBL1429462 0.79 NPC1 (0.58) ALDH1A1NPC1LMNANPSR1UCHL1

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-20100298377-A1 NOVEL SUBSTITUTED INDAZOLES, THE PREPARATION THEREOF AND USE OF SAME IN THERAPEUTICS SANOFI-AVENTIS (FR) 2010-11-25 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-20100298377-A1 NOVEL SUBSTITUTED INDAZOLES, THE PREPARATION THEREOF AND USE OF SAME IN THERAPEUTICS WEE1, PRMT1, ABL1 ALDH1A1 118/4885NPC1 367/4885TAS1R3 2109/4885

“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.