SCHEMBL6263178

SCHEMBL6263178

CCOC(=O)C(C)Cc1ccc(OC)nc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 6/20 0.45
FFAR1 O14842 1/20 0.44
CPB2 Q96IY4 1/20 0.43
NNMT P40261 1/20 0.42
PPARG P37231 2/20 0.42
PPARA Q07869 1/20 0.42
OXTR P30559 1/20 0.41
DAO P14920 1/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
KLKB1 P03952 1/20 0.39
EPHX2 P34913 1/20 0.39
PABPC1 P11940 1/20 0.39
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
PKM P14618 1/20 0.39
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38

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
SCHEMBL4968773 0.88 ACACB (0.50) ACACBFFAR1NNMTPPARGPPARA
SCHEMBL3861143 0.84 ACACB (0.44) ACACBFFAR1CPB2NNMTMEN1
SCHEMBL7945973 0.84 ACACB (0.44) ACACBFFAR1CPB2NNMTMEN1
SCHEMBL6262005 0.82 ACACB (0.43) ACACBFFAR1CPB2NNMTOXTR
SCHEMBL10741906 0.82 ACACB (0.40) ACACBFFAR1CPB2NNMTOXTR
SCHEMBL29852428 0.80 KDM4E (0.52) FFAR1CPB2PPARGMEN1KMT2A
SCHEMBL8574971 0.79 EPHX2 (0.51) CPB2PPARGMEN1KMT2AEPHX2
SCHEMBL25213650 0.78 KCNQ3 (0.47) CPB2PPARGDAOEPHX2
SCHEMBL30469169 0.78 KCNQ3 (0.47) CPB2PPARGDAOEPHX2
SCHEMBL27956494 0.78 JAK2 (0.45) NNMTMEN1KMT2AKDM4EMAPT

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
EP-1592421-A1 HETEROARYLALKANOIC ACIDS AS INTEGRIN RECEPTOR ANTAGONISTS Pharmacia Corporation (US) 2005-11-09 EP disclosed
US-20050196557-A1 Inkjet recording sheet, manufacturing method of inkjet recording sheet, and inkjet recording method KONICA MINOLTA HOLDINGS, INC. 2005-09-08 US disclosed
EP-1561593-A1 Ink-jet recording sheet, its' manufacturing method, and ink-jet recording method KONICA MINOLTA HOLDINGS, INC. (JP) 2005-08-10 EP disclosed
US-20050043344-A1 Heteroarylalkanoic acids as integrin receptor antagonists derivatives PHARMACIA CORPORATION 2005-02-24 US disclosed
WO-2004058254-A1 HETEROARYLALKANOIC ACIDS AS INTEGRIN RECEPTOR ANTAGONISTS PHARMACIA CORPORATION (US) 2004-07-15 WO disclosed
WO-2004058254-A1 HETEROARYLALKANOIC ACIDS AS INTEGRIN RECEPTOR ANTAGONISTS PHARMACIA CORPORATION (US) 2004-07-15 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-20050043344-A1 Heteroarylalkanoic acids as integrin receptor antagonists derivatives ITGA5, ITGAV, ITGA6 ACACB 2106/4885FFAR1 100/4885CPB2 2010/4885

“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.