SCHEMBL98092

SCHEMBL98092

CC(C)(C=O)CC1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADH1A P07327 4/20 0.40
ADH1C P00326 3/20 0.40
ADH1B P00325 1/20 0.40
ADH4 P08319 1/20 0.40
ADH7 P40394 1/20 0.40
CYP1A2 P05177 1/20 0.38
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
GRM2 Q14416 1/20 0.33
GRM3 Q14832 1/20 0.33
SIGMAR1 Q99720 3/20 0.32
EPHX1 P07099 1/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL7353900 1.00 ADH1A (0.40) ADH1AADH1CADH1BADH4ADH7
SCHEMBL4258796 0.79 CYP1A2 (0.39) ADH1AADH1CADH1BADH4ADH7
SCHEMBL2563721 0.78 THRA (0.32) THRATHRB
SCHEMBL9118393 0.78 ADH1C (0.38) ADH1AADH1CADH1BADH4ADH7
SCHEMBL13439429 0.78 SLC6A1 (0.35) THRATHRBEPHX1
SCHEMBL3226686 0.78 ADH1B (0.31) ADH1AADH1CADH1BADH4ADH7
Hydrochloric Acid SCHEMBL23539128 0.77 GNAO1 (0.36) THRATHRBEPHX1
SCHEMBL342300 0.75 ADH1B (0.48) ADH1AADH1CADH1BADH4ADH7
SCHEMBL1524628 0.75 CYP1A2 (0.48) ADH1AADH1CADH1BADH4ADH7
SCHEMBL3980758 0.74

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 14 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
CN-101068810-B Carbostyril compound OTSUKA PHARMA CO LTD 2011-02-09 CN 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
CN-101068810-A Carbostyril compound OTSUKA PHARMA CO LTD (JP) 2007-11-07 CN 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-2006074979-A1 USE OF 2,2-DIMETHYL-3-CYCLOHEXYL-1-PROPANOL AS A PERFUME SYMRISE GMBH & CO. KG (DE) 2006-07-20 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 (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 ADH1A 2734/4885ADH1C 2430/4885ADH1B 2073/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 ADH1A 848/4885ADH1C 786/4885ADH1B 1139/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 ADH1A 848/4885ADH1C 786/4885ADH1B 1139/4885

“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.