SCHEMBL98215

SCHEMBL98215

Cc1ccc(C)c(CCC=O)c1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.57
POLB P06746 1/20 0.40
ALDH1A1 P00352 3/20 0.37
HTT P42858 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
GAA P10253 1/20 0.37
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 5/20 0.37
MEN1 O00255 4/20 0.37
USP2 O75604 1/20 0.36
SRC P12931 2/20 0.36
MAPT P10636 1/20 0.36
TP53 P04637 1/20 0.36
TACR1 P25103 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
NR3C1 P04150 1/20 0.35
NR3C2 P08235 1/20 0.35

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
SCHEMBL585890 0.84 KDM4E (0.40) TAAR1ALDH1A1HTTNPC1RAB9A
SCHEMBL10226032 0.82 SRC (0.39) TAAR1POLBALDH1A1KDM4EHPGD
SCHEMBL8508767 0.82 TAAR1 (0.59) TAAR1POLBALDH1A1HTTNPC1
SCHEMBL23458349 0.81 AMY1A (0.50) TAAR1ALDH1A1HTTGAAHPGD
SCHEMBL29952456 0.81 CYP3A4 (0.38) TAAR1ALDH1A1HTTGAAKDM4E
SCHEMBL7550128 0.81 CYP3A4 (0.39) TAAR1POLBALDH1A1HTTGAA
SCHEMBL9491792 0.80 TAAR1 (0.74) TAAR1POLBALDH1A1HTTNPC1
SCHEMBL1612599 0.80 TAAR1 (0.57) TAAR1POLBALDH1A1HTTNPC1
SCHEMBL7734929 0.80 TAAR1 (0.57) TAAR1POLBALDH1A1HTTNPC1
SCHEMBL16245816 0.79 TAAR1 (0.35) TAAR1ALDH1A1NPC1RAB9AMAPT

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-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
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
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-4355184-A BY REACTING AN ALDEHYDE WITH AN ALKALI METAL SALT OF ACETOACETIC NIPPON SODA COMPANY LIMITED (JP) 1982-10-19 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 (2 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 TAAR1 3793/4885POLB 1340/4885ALDH1A1 2948/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 TAAR1 2154/4885POLB 4329/4885ALDH1A1 2458/4885

“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.