SCHEMBL5011867

SCHEMBL5011867

CC(C)C(C)(NC(=O)c1ccc(-c2ccccc2)cc1)C(C)C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.53
RAB9A P51151 4/20 0.53
CTDSP1 Q9GZU7 1/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
GAA P10253 2/20 0.51
MAPT P10636 2/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
ALOX12 P18054 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
KDM4E B2RXH2 1/20 0.51
AGTR1 P30556 1/20 0.51
HTT P42858 1/20 0.51
HPGDS O60760 1/20 0.50
PDCD1 Q15116 1/20 0.47
CD274 Q9NZQ7 1/20 0.47

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
SCHEMBL13994623 0.90 POLB (0.56) NPC1RAB9ASMN1; SMN2GAAMAPT
SCHEMBL6416083 0.82 NPC1 (0.60) NPC1RAB9ACTDSP1SMN1; SMN2GAA
SCHEMBL14714456 0.79 NPC1 (0.56) NPC1RAB9ACTDSP1SMN1; SMN2GAA
SCHEMBL5010345 0.78 TDP1 (0.53) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL15526785 0.77 MAPT (0.57) NPC1RAB9ASMN1; SMN2GAAMAPT
SCHEMBL3135725 0.75 NPC1 (0.60) NPC1RAB9ACTDSP1SMN1; SMN2MAPT
SCHEMBL24571837 0.75 POLB (0.56) NPC1RAB9ASMN1; SMN2GAAKMT2A
SCHEMBL4067128 0.75 ALDH1A1 (0.71) NPC1RAB9ACTDSP1SMN1; SMN2GAA
SCHEMBL5004806 0.75 NPC1 (0.55) NPC1RAB9ACTDSP1SMN1; SMN2GAA
SCHEMBL28536704 0.73 CTDSP1 (0.53) NPC1RAB9ACTDSP1SMN1; SMN2GAA

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 NPC1 1037/4885RAB9A 3133/4885CTDSP1 676/4885

“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.