SCHEMBL98214

SCHEMBL98214

Cc1ccc(C)c(CC[C]=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
HTT P42858 3/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
TP53 P04637 2/20 0.36
MAPT P10636 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
NR3C1 P04150 1/20 0.35
NR3C2 P08235 1/20 0.35
SLC22A12 Q96S37 1/20 0.35
TSHR P16473 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL5542276 0.84 PYCR1 (0.42) TAAR1POLBHTTKDM4EALDH1A1
SCHEMBL9491792 0.80 TAAR1 (0.74) TAAR1POLBHTTKDM4EALDH1A1
SCHEMBL28385500 0.80 TAAR1 (0.57) TAAR1POLBHTTKDM4EALDH1A1
SCHEMBL1611582 0.80 TAAR1 (0.57) TAAR1POLBHTTKDM4EALDH1A1
SCHEMBL1758599 0.79 TAAR1 (0.55) TAAR1POLBHTTKDM4EALDH1A1
SCHEMBL8045934 0.77 TAAR1 (0.63) TAAR1POLBHTTKDM4EALDH1A1
SCHEMBL910442 0.75 TAAR1 (0.54) TAAR1ALDH1A1GAAHPGDKMT2A
SCHEMBL2045305 0.74 TAAR1 (0.65) TAAR1POLBHTTKDM4EALDH1A1
SCHEMBL11587172 0.73 TDP2 (0.30)
SCHEMBL269825 0.73 TAAR1 (0.58) TAAR1POLBHTTKDM4EALDH1A1

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 11 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

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 TAAR1 3793/4885POLB 1340/4885HTT 4495/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 TAAR1 2154/4885POLB 4329/4885HTT 4175/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 TAAR1 2154/4885POLB 4329/4885HTT 4175/4885

“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.