SCHEMBL5010364

SCHEMBL5010364

CCC(CC)(CC)NC(=O)c1ccc2c(c1)OCO2

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 3/20 0.59
TAS1R1 Q7RTX1 3/20 0.59
RAB9A P51151 7/20 0.58
NPC1 O15118 5/20 0.58
SMN1; SMN2 Q16637 5/20 0.58
MAPT P10636 3/20 0.58
PKM P14618 3/20 0.56
ALDH1A1 P00352 1/20 0.56
NFKB1 P19838 1/20 0.56
NFKB2 Q00653 1/20 0.56
RELA Q04206 1/20 0.56
KMT2A Q03164 3/20 0.55
PTGS2 P35354 1/20 0.55
CASP3 P42574 1/20 0.55
SENP8 Q96LD8 1/20 0.55
SENP7 Q9BQF6 1/20 0.55
SENP6 Q9GZR1 1/20 0.55
HPGD P15428 2/20 0.54
HTT P42858 1/20 0.54
TSHR P16473 1/20 0.54

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
SCHEMBL13109869 0.83 NPC1 (0.60) TAS1R3TAS1R1RAB9ANPC1SMN1; SMN2
SCHEMBL1740558 0.82 NPC1 (0.59) TAS1R3TAS1R1RAB9ANPC1SMN1; SMN2
SCHEMBL12024481 0.82 TAS1R3 (0.59) TAS1R3TAS1R1RAB9ANPC1SMN1; SMN2
SCHEMBL10192179 0.81 TAS1R3 (0.58) TAS1R3TAS1R1RAB9ANPC1SMN1; SMN2
SCHEMBL17822216 0.80 TAS1R3 (0.57) TAS1R3TAS1R1RAB9ANPC1SMN1; SMN2
SCHEMBL13702266 0.80 HPGD (0.66) TAS1R3TAS1R1RAB9ANPC1SMN1; SMN2
SCHEMBL10192182 0.78 TAS1R3 (0.55) TAS1R3TAS1R1RAB9ANPC1SMN1; SMN2
SCHEMBL5011642 0.78 TAS1R3 (0.61) TAS1R3TAS1R1RAB9ANPC1SMN1; SMN2
SCHEMBL5192592 0.78 KMT2A (0.70) RAB9ANPC1SMN1; SMN2MAPTPKM
SCHEMBL31019604 0.78 NPC1 (0.66) TAS1R3TAS1R1RAB9ANPC1SMN1; SMN2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080319055-A1 Cooling Compounds GIVAUDAN SA (CH) 2008-12-25 US disclosed
US-20080319055-A1 Cooling Compounds GIVAUDAN SA (CH) 2008-12-25 US disclosed
US-20080319055-A1 Cooling Compounds GIVAUDAN SA (CH) 2008-12-25 US disclosed
EP-1860960-A1 COOLING COMPOUNDS Givaudan SA (CH) 2007-12-05 EP disclosed
WO-2006099762-A1 COOLING COMPOUNDS GIVAUDAN SA (CH) 2006-09-28 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-20080319055-A1 Cooling Compounds TAS2R1, TAS2R43, TAS2R3 TAS1R3 22/4885TAS1R1 23/4885RAB9A 3133/4885

“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.