SCHEMBL128467

SCHEMBL128467

CCCCO[CH]CC(C)C

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
ADRB3 P13945 1/20 0.35
ATM Q13315 1/20 0.32
TSHR P16473 2/20 0.31
CYP3A4 P08684 1/20 0.31
HPGD P15428 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL4502917 0.93 DNM1 (0.33) ALDH1A1
SCHEMBL4505700 0.91 DNM1 (0.36) TSHR
SCHEMBL133601 0.85
SCHEMBL27925945 0.80 DNM1 (0.31) ADRB2ADRB1ADRB3
SCHEMBL27756204 0.79 TSHR (0.33) ADRB2ADRB1ADRB3ATMTSHR
SCHEMBL12197495 0.77 ADRB2 (0.32) ADRB2ADRB1ADRB3ATM
SCHEMBL28693926 0.77 ADRB2 (0.32) ADRB2ADRB1ADRB3ATM
SCHEMBL126481 0.77 ADRB2 (0.32) ADRB2ADRB1ADRB3ATM
SCHEMBL27907962 0.76 USP2 (0.33) ALDH1A1
SCHEMBL28631864 0.74 TSHR (0.31) ADRB2ADRB1ADRB3TSHR

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
EP-1655291-B1 COMPOUNDS HAVING THROMBOPOIETIN RECEPTOR AGONISM SHIONOGI & CO (JP) 2016-08-03 EP disclosed
CN-103130739-B There is the compound of thrombopoietin receptor agonism SHIONOGI & CO., LTD. (JP) 2015-09-16 CN disclosed
CN-102796058-B Compound having thrombopoietin receptor agonism SHIONOGI & CO 2015-05-13 CN disclosed
CN-103130739-A Compounds having thrombopoietin receptor agonism SHIONOGI & CO 2013-06-05 CN disclosed
US-8450319-B2 Pyrrolopyridazinone compound UBE INDUSTRIES, LTD. (JP) 2013-05-28 US disclosed
CN-102796058-A Compound having thrombopoietin receptor agonism SHIONOGI & CO 2012-11-28 CN disclosed
EP-1982986-B1 PYRROLOPYRIDAZINONE COMPOUND AS PDE4 INHIBITOR UBE INDUSTRIES (JP) 2012-03-07 EP disclosed
CN-102271732-A Nanochannel devices and related methods 2011-12-07 CN disclosed
CN-101716221-B Dripping pill for increasing leucocyte TIANJIN ZHONGTIAN PHARMACEUTICAL CO LTD 2011-10-05 CN disclosed
CN-101716221-A Dripping pill for increasing leucocyte TIANJIN ZHONGTIAN PHARMACEUTIC 2010-06-02 CN disclosed
US-20090318513-A1 COMPOUNDS EXHIBITING THROMBOPOIETIN RECEPTOR AGONISM SHIONOGI & CO., LTD. 2009-12-24 US disclosed
US-7601746-B2 Compounds exhibiting thrombopoietin receptor agonism SHIONOGI & CO., LTD. (JP) 2009-10-13 US disclosed
US-20090036453-A1 Pyrrolopyridazinone Compound UBE INDUSTRIES, LTD. (JP) 2009-02-05 US disclosed
EP-1982986-A1 PYRROLOPYRIDAZINONE COMPOUND Ube Industries, Ltd. (JP) 2008-10-22 EP disclosed
US-20070043087-A1 Such as 3-{2,6-difluoro-4-[4,5-dihydro-6-(3,3-dimethylbutyl)naphtho[1,2-d]thiazol-2-ylcabamoyl)phenyl]-2-methylacrylic acid EDDINGPHARM (HONG KONG) COMPANY LIMITED (CN) 2007-02-22 US disclosed
CN-1863783-A Compounds with Thrombopoietin Receptor Agonism SHIONOGI & CO (JP) 2006-11-15 CN disclosed
EP-1655291-A1 COMPOUNDS HAVING THROMBOPOIETIN RECEPTOR AGONISM SHIONOGI & CO., LTD. (JP) 2006-05-10 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 (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-20090318513-A1 COMPOUNDS EXHIBITING THROMBOPOIETIN RECEPTOR AGONISM MPL, TEK, GHRHR ADRB2 441/4885ADRB1 290/4885ADRB3 355/4885
US-20070043087-A1 Such as 3-{2,6-difluoro-4-[4,5-dihydro-6-(3,3-dimethylbutyl)naphtho[1,2-d]thiazol-2-ylcabamoyl)phenyl]-2-methylacrylic acid DHFR, NAT1, ACR ADRB2 2497/4885ADRB1 1763/4885ADRB3 1370/4885
US-20090036453-A1 Pyrrolopyridazinone Compound CBR3, CBR1, CYC1 ADRB2 335/4885ADRB1 371/4885ADRB3 163/4885

“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.