SCHEMBL96274

SCHEMBL96274

[O]CC#CCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.43
FFAR4 Q5NUL3 1/20 0.43
KCNH2 Q12809 2/20 0.42
ALDH1A1 P00352 2/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
ALOX12 P18054 1/20 0.40
CASP1 P29466 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CALM1 P0DP23 1/20 0.39
EPHX2 P34913 1/20 0.37
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
AKR1B1 P15121 1/20 0.37
SRR Q9GZT4 2/20 0.36
TSHR P16473 3/20 0.36
IDO1 P14902 1/20 0.36
TP53 P04637 1/20 0.36
LOXL2 Q9Y4K0 1/20 0.36
TRPA1 O75762 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
SCHEMBL3888886 0.87 CALM1 (0.50) FFAR1FFAR4KCNH2ALDH1A1HPGD
SCHEMBL6722153 0.81 FFAR1 (0.41) FFAR1FFAR4KCNH2ALDH1A1HPGD
SCHEMBL6722507 0.78 KCNH2 (0.41) FFAR1FFAR4KCNH2ALDH1A1HPGD
SCHEMBL15859321 0.77 FFAR1 (0.44) FFAR1FFAR4KCNH2ALDH1A1HPGD
SCHEMBL28091752 0.77 ALDH1A1 (0.42) FFAR1FFAR4KCNH2ALDH1A1HPGD
SCHEMBL14085350 0.76 HTR2A (0.46) FFAR1FFAR4KCNH2LOXL2DHFR
SCHEMBL94697 0.76 ALDH1A1 (0.48) FFAR1FFAR4KCNH2ALDH1A1HPGD
SCHEMBL9856631 0.76 CALM1 (0.45) FFAR1FFAR4KCNH2ALDH1A1HPGD
SCHEMBL6319821 0.75 KCNH2 (0.50) FFAR1FFAR4KCNH2ALDH1A1CALM1
SCHEMBL2590581 0.75 KCNH2 (0.42) FFAR1FFAR4KCNH2ALDH1A1HPGD

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 16 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
EP-1797082-A1 CARBOSTYRIL COMPOUND Otsuka Pharmaceutical Company, Limited (JP) 2007-06-20 EP disclosed
WO-2006035954-A1 CARBOSTYRIL COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-04-06 WO disclosed
US-20040097728-A1 Method for producing anellated tetrahydro-{1h}-triazoles BASF AKTIENGESELLSCHAFT (DE) 2004-05-20 US disclosed
US-6204222-B1 SUITABLE AS HERBICIDES AND FOR DESICCATION/DEFOLIATION OF PLANTS BASF AKTIENGESELLSCHAFT (DE) 2001-03-20 US disclosed
US-5817603-A HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1998-10-06 US disclosed
CN-1189824-A 1-amino-3-benzyluracils BASF AG (DE) 1998-08-05 CN disclosed
US-5602074-A HERBICIDES; PLANT DESICCATION, DEFOLIATION BASF AKTIENGESELLSCHAFT (DE) 1997-02-11 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 (4 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 FFAR1 2284/4885FFAR4 3769/4885KCNH2 3417/4885
US-20040097728-A1 Method for producing anellated tetrahydro-{1h}-triazoles CBR1, CBR3, QSOX1 FFAR1 2393/4885FFAR4 3167/4885KCNH2 856/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 FFAR1 505/4885FFAR4 855/4885KCNH2 3445/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 FFAR1 505/4885FFAR4 855/4885KCNH2 3445/4885

“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.