SCHEMBL98091

SCHEMBL98091

CC(C)([C]=O)CC1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.38
GRM2 Q14416 1/20 0.33
GRM3 Q14832 1/20 0.33
SIGMAR1 Q99720 3/20 0.32
ADH1B P00325 1/20 0.31
ADH1C P00326 1/20 0.31
ADH1A P07327 1/20 0.31
ADH4 P08319 1/20 0.31
ADH7 P40394 1/20 0.31
HPGD P15428 1/20 0.31
ALDH1A1 P00352 1/20 0.30
MMP1 P03956 1/20 0.30
MMP9 P14780 1/20 0.30
MMP13 P45452 1/20 0.30
ADAM17 P78536 1/20 0.30

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
SCHEMBL7353897 1.00 CYP1A2 (0.38) CYP1A2GRM2GRM3SIGMAR1ADH1B
SCHEMBL11389339 0.88
SCHEMBL2443280 0.77 CYP1A2 (0.38) CYP1A2SIGMAR1HPGDALDH1A1
SCHEMBL3967137 0.77
SCHEMBL1524628 0.75 CYP1A2 (0.48) CYP1A2GRM2GRM3SIGMAR1ADH1B
SCHEMBL1412706 0.73 CYP1A2 (0.42) CYP1A2GRM2GRM3SIGMAR1ADH1B
SCHEMBL22660146 0.72 ALDH1A1 (0.35) CYP1A2GRM2GRM3ALDH1A1
SCHEMBL1643889 0.72 CYP1A2 (0.43) CYP1A2GRM2GRM3SIGMAR1
SCHEMBL8009068 0.70 CYP1A2 (0.39) CYP1A2GRM2GRM3SIGMAR1ADH1B
SCHEMBL9956080 0.70 KMT2A (0.33) HPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090105259-A1 Acyclic 1,4-Diamines and Uses Thereof SMITHKLINE BEECHAM CORPORATION 2009-04-23 US claimed
EP-1940785-A2 ACYCLIC 1,4-DIAMINES AND USES THEREOF SmithKline Beecham Corporation (US) 2008-07-09 EP claimed
WO-2007030761-A2 ACYCLIC 1,4-DIAMINES AND USES THEREOF SMITHKLINE BEECHAM CORPORATION (US) 2007-03-15 WO claimed
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
US-20090105259-A1 Acyclic 1,4-Diamines and Uses Thereof SMITHKLINE BEECHAM CORPORATION 2009-04-23 US disclosed
EP-2043644-A1 NF- B INHIBITOR Otsuka Pharmaceutical Co., Ltd. (JP) 2009-04-08 EP disclosed
EP-1940785-A2 ACYCLIC 1,4-DIAMINES AND USES THEREOF SmithKline Beecham Corporation (US) 2008-07-09 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-2007030761-A2 ACYCLIC 1,4-DIAMINES AND USES THEREOF SMITHKLINE BEECHAM CORPORATION (US) 2007-03-15 WO 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 (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 CYP1A2 3062/4885GRM2 2629/4885GRM3 3012/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 CYP1A2 1412/4885GRM2 3178/4885GRM3 3584/4885
US-20090105259-A1 Acyclic 1,4-Diamines and Uses Thereof TRPV4, TRPC4, TRPV1 CYP1A2 3159/4885GRM2 365/4885GRM3 323/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 CYP1A2 1412/4885GRM2 3178/4885GRM3 3584/4885

“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.