SCHEMBL6468663

SCHEMBL6468663

CC[CH]C(=O)CCCCC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.54
CES2 O00748 4/20 0.52
CES1 P23141 4/20 0.52
POLB P06746 1/20 0.52
POLA1 P09884 1/20 0.52
AKR1B1 P15121 1/20 0.50
HSP90AA1 P07900 1/20 0.48
GPR84 Q9NQS5 7/20 0.48
PPARG P37231 6/20 0.48
PPARD Q03181 6/20 0.48
PPARA Q07869 6/20 0.48
HDAC11 Q96DB2 5/20 0.48
TSHR P16473 4/20 0.48
ALDH1A1 P00352 2/20 0.48
TLR2 O60603 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
FABP4 P15090 2/20 0.48
PTPN1 P18031 2/20 0.48
SLC22A6 Q4U2R8 1/20 0.48
SLC22A8 Q8TCC7 1/20 0.48

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
SCHEMBL6467411 0.98 POLB (0.55) TRPA1CES2CES1POLBPOLA1
SCHEMBL28221041 0.98 POLB (0.55) TRPA1CES2CES1POLBPOLA1
SCHEMBL117080 0.98 POLB (0.55) TRPA1CES2CES1POLBPOLA1
SCHEMBL2560513 0.98 POLB (0.55) TRPA1CES2CES1POLBPOLA1
SCHEMBL9114018 0.98 POLB (0.55) TRPA1CES2CES1POLBPOLA1
SCHEMBL9113837 0.98 POLB (0.55) TRPA1CES2CES1POLBPOLA1
SCHEMBL951859 0.98 POLB (0.55) TRPA1CES2CES1POLBPOLA1
SCHEMBL116978 0.98 POLB (0.55) TRPA1CES2CES1POLBPOLA1
SCHEMBL6467956 0.92
SCHEMBL3330873 0.83 TRPA1 (0.52) TRPA1CES2CES1POLBAKR1B1

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.