SCHEMBL6466416

SCHEMBL6466416

CCC[CH]C(=O)CCCC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 3/20 0.48
CES2 O00748 2/20 0.48
ALDH1A1 P00352 3/20 0.44
TP53 P04637 1/20 0.44
TRPA1 O75762 1/20 0.43
CA1 P00915 1/20 0.42
PPARG P37231 4/20 0.41
PPARA Q07869 4/20 0.41
TERT O14746 3/20 0.39
MAPT P10636 2/20 0.39
BLM P54132 2/20 0.39
HSD17B10 Q99714 2/20 0.39
FABP4 P15090 2/20 0.39
F7 P08709 2/20 0.39
F3 P13726 2/20 0.39
PTPN1 P18031 2/20 0.39
PPARD Q03181 2/20 0.39
GMNN O75496 1/20 0.39
USP2 O75604 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL6466397 0.93 TRPA1 (0.52) CES1CES2TP53TRPA1PPARG
SCHEMBL1405721 0.91 CES2 (0.52) CES1CES2ALDH1A1PPARGPPARA
SCHEMBL6002924 0.88 PPARG (0.48) CES1CES2TP53TRPA1PPARG
SCHEMBL8776840 0.86 PPARG (0.52) TP53PPARGPPARATERTMAPT
SCHEMBL131191 0.84
SCHEMBL27549360 0.84 CES1 (0.42) CES1CES2ALDH1A1TP53TRPA1
SCHEMBL15809422 0.83 PPARG (0.63) TP53PPARGPPARATERTMAPT
SCHEMBL3330873 0.83 TRPA1 (0.52) CES1CES2TP53TRPA1PPARG
SCHEMBL27558810 0.82 CES1 (0.41) CES1CES2ALDH1A1TP53TRPA1
SCHEMBL6467956 0.82

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-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
WO-2003004494-A1 PYRIDAZINONE COMPOUND AS ADENOSINE ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-01-16 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 CES1 1245/4885CES2 1232/4885ALDH1A1 846/4885

“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.