SCHEMBL4487253

SCHEMBL4487253

CCCCCO[CH]CC(C)(C)C

nearest known ligand 0.32

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.31
CA2 P00918 4/20 0.31
CA9 Q16790 4/20 0.31
THRB P10828 2/20 0.31
MEN1 O00255 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
CA12 O43570 1/20 0.31
MAPT P10636 1/20 0.31
CES2 O00748 1/20 0.31
HCAR2 Q8TDS4 1/20 0.31
CES1 P23141 1/20 0.31
TSHR P16473 1/20 0.30
LPAR3 Q9UBY5 4/20 0.30
LPAR2 Q9HBW0 3/20 0.30
LPAR1 Q92633 2/20 0.30
NAAA Q02083 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
SCHEMBL4494175 0.98 THRB (0.35) CA1CA2CA9THRBMEN1
SCHEMBL4495499 0.93 ADRB2 (0.35) TSHR
SCHEMBL4507299 0.83
SCHEMBL982731 0.75
SCHEMBL984576 0.73 THRB (0.42) CA1CA2CA9THRBMEN1
SCHEMBL982845 0.73 THRB (0.42) CA1CA2CA9THRBMEN1
SCHEMBL983990 0.73 LPAR1 (0.35) CA1CA2CA9THRBMEN1
SCHEMBL133829 0.73 THRB (0.42) CA1CA2CA9THRBMEN1
SCHEMBL198357 0.73 TSHR (0.40) TSHRLPAR3LPAR2LPAR1
SCHEMBL982532 0.73 THRB (0.42) CA1CA2CA9THRBMEN1

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 9 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-102271732-A Nanochannel devices and related methods 2011-12-07 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-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 (2 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 CA1 3939/4885CA2 3726/4885CA9 2943/4885
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 CA1 1196/4885CA2 687/4885CA9 221/4885

“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.