SCHEMBL94698

SCHEMBL94698

CC#CCC(O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.54
KDM4E B2RXH2 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
AOC3 Q16853 5/20 0.46
RIPK1 Q13546 1/20 0.46
KMT2A Q03164 1/20 0.45
GAA P10253 1/20 0.41
CYP2D6 P10635 2/20 0.40
PABPC1 P11940 1/20 0.40
APOBEC3A P31941 1/20 0.40
EIF4H Q15056 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
CYP1A2 P05177 1/20 0.40
HIF1A Q16665 1/20 0.40
TSHR P16473 2/20 0.39
CHRM2 P08172 1/20 0.39
ADRA1A P35348 1/20 0.39
RGS12 O14924 1/20 0.39
GLA P06280 1/20 0.39
CYP3A4 P08684 1/20 0.39

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
SCHEMBL598176 0.80 RIPK1 (0.52) LMNAKDM4EL3MBTL1AOC3RIPK1
SCHEMBL29790456 0.79 AOC3 (0.48) LMNAKDM4EL3MBTL1AOC3RIPK1
SCHEMBL8396351 0.79 LMNA (0.53) LMNAKDM4EL3MBTL1AOC3RIPK1
SCHEMBL5014307 0.78 KMT2A (0.60) LMNAKDM4EL3MBTL1AOC3RIPK1
SCHEMBL10442057 0.76 LMNA (0.50) LMNAKDM4EL3MBTL1AOC3RIPK1
SCHEMBL4169733 0.76 LMNA (0.54) LMNAKDM4EL3MBTL1AOC3RIPK1
SCHEMBL14085351 0.75 SCN4A (0.42) HTR2A
SCHEMBL30542013 0.75 CYP2C19 (0.49) LMNACYP2D6CYP2C19HSD17B10
SCHEMBL28864450 0.74 KMT2A (0.53) LMNAKDM4EL3MBTL1AOC3RIPK1
SCHEMBL1546681 0.74 TSHR (0.52) LMNAKDM4EL3MBTL1AOC3RIPK1

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 12 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
US-7388101-B1 Tetrahydrofuran derivatives having cis substituent, their intermediates, and their preparation method KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2008-06-17 US 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

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 LMNA 3740/4885KDM4E 1125/4885L3MBTL1 1099/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 LMNA 4860/4885KDM4E 3919/4885L3MBTL1 262/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 LMNA 4860/4885KDM4E 3919/4885L3MBTL1 262/4885

“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.