SCHEMBL95843

SCHEMBL95843

O=CCCCOc1c(F)cc(F)cc1F

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.33
ERN1 O75460 1/20 0.33
FFAR4 Q5NUL3 6/20 0.32
FFAR1 O14842 2/20 0.32
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31
CCNB2 O95067 1/20 0.31
CCNE2 O96020 1/20 0.31
CDK1 P06493 1/20 0.31
CDK4 P11802 1/20 0.31
CCNB1 P14635 1/20 0.31
CCND1 P24385 1/20 0.31
CCNE1 P24864 1/20 0.31
CDK2 P24941 1/20 0.31
CCND2 P30279 1/20 0.31
CCND3 P30281 1/20 0.31
CCNB3 Q8WWL7 1/20 0.31

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
SCHEMBL31267761 0.76 LPAR3 (0.38) FFAR4FFAR1CDK1CCNB1CDK2
SCHEMBL97742 0.74 SCN8A (0.37) HIF1AERN1FFAR4CES2CES1
SCHEMBL2975496 0.73 SOD1 (0.39) HIF1A
SCHEMBL95842 0.73 FFAR4 (0.32) FFAR4FFAR1CES2CES1CCNB2
SCHEMBL97017 0.72 HIF1A (0.36) HIF1AERN1
SCHEMBL17806149 0.72 THRA (0.45)
SCHEMBL25650263 0.71 CCNB2 (0.36) FFAR4FFAR1CCNB2CCNE2CDK1
SCHEMBL15781965 0.71 FFAR4 (0.30) FFAR4FFAR1
SCHEMBL5540269 0.71 DRD2 (0.50)
SCHEMBL96521 0.70 MAOB (0.44) FFAR4FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8362252-B2 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-01-29 US disclosed
EP-1797082-B1 CARBOSTYRIL COMPOUND OTSUKA PHARMA CO LTD (JP) 2012-08-29 EP disclosed
EP-2426128-A1 Carbostyril compound Otsuka Pharmaceutical Co., Limited (JP) 2012-03-07 EP disclosed
US-20100261705-A1 CARBOSTYRIL COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2010-10-14 US disclosed
US-7777038-B2 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-08-17 US disclosed
US-20090326008-A1 NF-kappa B Inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-12-31 US disclosed
EP-2043644-A1 NF- B INHIBITOR Otsuka Pharmaceutical Co., Ltd. (JP) 2009-04-08 EP disclosed
WO-2008010601-A1 NF- ϰB INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-01-24 WO disclosed
US-20070179173-A1 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-02 US 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 (3 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-20090326008-A1 NF-kappa B Inhibitor NFKBIA, NFKB2, IKBKB HIF1A 775/4885ERN1 755/4885FFAR4 3769/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 HIF1A 1411/4885ERN1 3550/4885FFAR4 855/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 HIF1A 1411/4885ERN1 3550/4885FFAR4 855/4885

“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.