SCHEMBL4914872

SCHEMBL4914872

CC(C)C(C(=O)Nc1ccc2c(c1)OCO2)C(C)C

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.67
RAB9A P51151 6/20 0.66
SMN1; SMN2 Q16637 6/20 0.66
NPC1 O15118 5/20 0.66
ALDH1A1 P00352 5/20 0.66
LMNA P02545 4/20 0.66
POLB P06746 3/20 0.66
TSHR P16473 3/20 0.66
TP53 P04637 3/20 0.66
HSD17B10 Q99714 1/20 0.66
MEN1 O00255 3/20 0.64
KMT2A Q03164 3/20 0.64
TAS1R3 Q7RTX0 1/20 0.64
TAS1R1 Q7RTX1 1/20 0.64
L3MBTL1 Q9Y468 1/20 0.60
NFKB1 P19838 3/20 0.59
NFKB2 Q00653 3/20 0.59
RELA Q04206 3/20 0.59
KDM4E B2RXH2 1/20 0.58
PKM P14618 1/20 0.57

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
SCHEMBL12875982 0.92 RAB9A (0.75) MAPTRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL11062952 0.85 MAPT (0.67) MAPTRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL13390844 0.84 HSD17B10 (0.70) MAPTRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL29328206 0.82 TAS1R3 (0.69) MAPTRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL12308327 0.82 HSD17B10 (0.63) MAPTRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL16596165 0.81 MAPT (0.71) MAPTRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL5923997 0.79 NPC1 (0.69) MAPTRAB9ASMN1; SMN2NPC1LMNA
SCHEMBL1742667 0.79 CYP1A2 (0.81) MAPTRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL19449475 0.79 NPC1 (0.73) MAPTRAB9ASMN1; SMN2NPC1LMNA
SCHEMBL179084 0.79 NPC1 (0.79) MAPTRAB9ASMN1; SMN2NPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080112899-A1 Carboxamides and Their Use GIVAUDAN S.A. (CH) 2008-05-15 US claimed
EP-1814845-A1 CARBOXAMIDES AND THEIR USE Givaudan SA (CH) 2007-08-08 EP claimed
WO-2006056087-A1 CARBOXAMIDES AND THEIR USE GIVAUDAN SA (CH) 2006-06-01 WO claimed
US-20080112899-A1 Carboxamides and Their Use GIVAUDAN S.A. (CH) 2008-05-15 US disclosed
EP-1814845-A1 CARBOXAMIDES AND THEIR USE Givaudan SA (CH) 2007-08-08 EP disclosed
WO-2006056087-A1 CARBOXAMIDES AND THEIR USE GIVAUDAN SA (CH) 2006-06-01 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-20080112899-A1 Carboxamides and Their Use NQO2, CBR3, COX4I1 MAPT 1874/4885RAB9A 3591/4885SMN1; SMN2 2027/4885

“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.