SCHEMBL6466397

SCHEMBL6466397

CCC[CH]C(=O)CCCCC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.52
CES2 O00748 4/20 0.50
CES1 P23141 4/20 0.50
PPARG P37231 5/20 0.48
PPARA Q07869 5/20 0.48
AKR1B1 P15121 1/20 0.48
TERT O14746 3/20 0.47
PTPN1 P18031 3/20 0.47
PPARD Q03181 3/20 0.47
CYP1A2 P05177 2/20 0.47
MAPT P10636 2/20 0.47
CYP2C19 P33261 2/20 0.47
BLM P54132 2/20 0.47
HSD17B10 Q99714 2/20 0.47
FABP4 P15090 2/20 0.47
FAAH O00519 2/20 0.47
KMT2A Q03164 2/20 0.47
GMNN O75496 1/20 0.47
USP2 O75604 1/20 0.47
LMNA P02545 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
SCHEMBL1405721 0.98 CES2 (0.52) CES2CES1PPARGPPARATERT
SCHEMBL6466416 0.93 CES1 (0.48) TRPA1CES2CES1PPARGPPARA
SCHEMBL3330873 0.91 TRPA1 (0.52) TRPA1CES2CES1PPARGPPARA
SCHEMBL15809422 0.90 PPARG (0.63) PPARGPPARATERTPTPN1PPARD
SCHEMBL10645729 0.88 PPARG (0.56) CES2CES1PPARGPPARATERT
SCHEMBL5179598 0.88 PPARG (0.56) CES2CES1PPARGPPARATERT
SCHEMBL3397001 0.88 PPARG (0.56) CES2CES1PPARGPPARATERT
SCHEMBL1685059 0.88 PPARG (0.56) CES2CES1PPARGPPARATERT
SCHEMBL1173224 0.88 PPARG (0.56) CES2CES1PPARGPPARATERT
SCHEMBL624501 0.88 PPARG (0.56) CES2CES1PPARGPPARATERT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050197338-A1 Substituted pyrazole urea compounds for the treatment of inflammation PHARMACIA AND UPJOHN COMPANY LLC 2005-09-08 US claimed
WO-2005037797-A1 SUBSTITUTED PYRAZOLE UREA COMPOUNDS FOR THE TREATMENT OF INFLAMMATION PHARMACIA CORPORATION (US) 2005-04-28 WO claimed
US-20050197338-A1 Substituted pyrazole urea compounds for the treatment of inflammation PHARMACIA AND UPJOHN COMPANY LLC 2005-09-08 US disclosed
WO-2005037797-A1 SUBSTITUTED PYRAZOLE UREA COMPOUNDS FOR THE TREATMENT OF INFLAMMATION PHARMACIA CORPORATION (US) 2005-04-28 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-20050197338-A1 Substituted pyrazole urea compounds for the treatment of inflammation IL4, ARG2, CASP4 TRPA1 920/4885CES2 1232/4885CES1 1245/4885

“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.