SCHEMBL6262005

SCHEMBL6262005

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

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACACB O00763 6/20 0.43
NNMT P40261 1/20 0.39
OXTR P30559 1/20 0.39
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 1/20 0.38
CPB2 Q96IY4 1/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
KLKB1 P03952 1/20 0.37
MAPT P10636 1/20 0.37
FFAR1 O14842 1/20 0.37
PABPC1 P11940 1/20 0.37
NPC1 O15118 1/20 0.37
LMNA P02545 1/20 0.37
PKM P14618 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL5856813 0.85 PPARG (0.39) ACACBCPB2MAPTFFAR1
SCHEMBL6266694 0.84 CPB2 (0.39) KDM4EALDH1A1CPB2MAPTLMNA
SCHEMBL6262756 0.83 ACACB (0.46) ACACBNNMTKDM4EALDH1A1MEN1
SCHEMBL5859238 0.83 PPARG (0.38) ACACBCPB2MAPTFFAR1
SCHEMBL6263178 0.82 ACACB (0.45) ACACBNNMTOXTRKDM4ECPB2
SCHEMBL27956494 0.80 JAK2 (0.45) NNMTKDM4EALDH1A1MEN1KMT2A
SCHEMBL2431295 0.79 LDHA (0.53) ACACBKDM4EALDH1A1MEN1KMT2A
SCHEMBL3861143 0.78 ACACB (0.44) ACACBNNMTKDM4EALDH1A1CPB2
SCHEMBL7945973 0.78 ACACB (0.44) ACACBNNMTKDM4EALDH1A1CPB2
SCHEMBL23482186 0.78 ACACB (0.42) ACACBNNMTKDM4EMEN1KMT2A

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
EP-1592421-A1 HETEROARYLALKANOIC ACIDS AS INTEGRIN RECEPTOR ANTAGONISTS Pharmacia Corporation (US) 2005-11-09 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 2106/4885NNMT 4585/4885OXTR 2181/4885

“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.