SCHEMBL3027601

SCHEMBL3027601

CCCOCCCNC=O

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 3/20 0.60
ADH1A P07327 3/20 0.60
ADH7 P40394 3/20 0.60
ADH1C P00326 2/20 0.60
EPHX1 P07099 1/20 0.58
ADH4 P08319 1/20 0.58
EPHX2 P34913 3/20 0.36
TSHR P16473 5/20 0.34
ALDH1A1 P00352 3/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
CYP3A4 P08684 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL5262404 0.91 ADH1B (0.67) ADH1BADH1AADH7ADH1CEPHX1
SCHEMBL3135671 0.88 ADH1B (0.72) ADH1BADH1AADH7ADH1CEPHX1
SCHEMBL7455633 0.88 ADH1B (0.72) ADH1BADH1AADH7ADH1CEPHX1
SCHEMBL8361119 0.88 ADH1B (0.72) ADH1BADH1AADH7ADH1CEPHX1
SCHEMBL8957786 0.88 ADH1B (0.72) ADH1BADH1AADH7ADH1CEPHX1
SCHEMBL3015888 0.87 ADH1B (0.67) ADH1BADH1AADH7ADH1CEPHX1
SCHEMBL3465685 0.86
SCHEMBL9842855 0.85 ADH1B (0.75) ADH1BADH1AADH7ADH1CEPHX1
SCHEMBL8342441 0.85 ADH1B (0.52) ADH1BADH1AADH7ADH1CEPHX1
SCHEMBL3033436 0.85 ADH1B (0.75) ADH1BADH1AADH7ADH1CEPHX1

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1957073-B1 MEDICINAL DRUG OTSUKA PHARMA CO LTD (JP) 2014-04-23 EP disclosed
EP-2612858-A1 STAT3/5 activation inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-07-10 EP disclosed
US-20120322807-A1 STAT3/5 ACTIVATION INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. 2012-12-20 US disclosed
US-20120238750-A1 AROMATIC COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2012-09-20 US disclosed
US-8263599-B2 STAT3/5 activation inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-09-11 US disclosed
US-8236826-B2 Diarylether derivatives as antitumor agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-08-07 US disclosed
US-8188277-B2 Aromatic compounds for suppressing the generation of collagen OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-05-29 US disclosed
EP-1452573-B1 THICKENER KAO CORP (JP) 2010-10-06 EP disclosed
US-20100210661-A1 STAT3/5 ACTIVATION INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-08-19 US disclosed
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-01-07 US disclosed
US-20070270422-A1 Aromatic Compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-11-22 US disclosed
WO-2007066784-A2 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-06-14 WO disclosed
EP-1773797-A2 AROMATIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-04-18 EP disclosed
WO-2006014012-A2 AROMATIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-02-09 WO disclosed
US-6958316-B2 Thickener KAO CORPORATION (JP) 2005-10-25 US disclosed
US-20040266657-A1 Thickener THE RELIABLE AUTOMATIC SPRINKLER CO. INC. 2004-12-30 US disclosed
EP-1452573-A1 THICKENER Kao Corporation (JP) 2004-09-01 EP disclosed
EP-0171217-B1 FUSED-RING HETEROCYCLIC COMPOUNDS A PROCESS FOR THEIR PRODUCTION AND THEIR PHARMACEUTICAL USE SANKYO COMPANY LIMITED (JP) 1989-05-03 EP disclosed
US-4716162-A BRAIN FUNCTION SANKYO COMPANY, LIMITED (JP) 1987-12-29 US disclosed
EP-0171217-A2 Fused-ring heterocyclic compounds a process for their production and their pharmaceutical use SANKYO COMPANY LIMITED (JP) 1986-02-12 EP 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 (5 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-20120238750-A1 AROMATIC COMPOUND CBR1, CBR3, CYP1A1 ADH1B 1522/4885ADH1A 1675/4885ADH7 2378/4885
US-20120322807-A1 STAT3/5 ACTIVATION INHIBITOR STAT3, JAK2, STAT1 ADH1B 4121/4885ADH1A 3234/4885ADH7 4029/4885
US-20100210661-A1 STAT3/5 ACTIVATION INHIBITOR STAT3, JAK2, STAT1 ADH1B 3502/4885ADH1A 2881/4885ADH7 3472/4885
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS ROS1, CBR1, CBR3 ADH1B 1500/4885ADH1A 1509/4885ADH7 1997/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 ADH1B 881/4885ADH1A 1358/4885ADH7 1603/4885

“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.