SCHEMBL4498544

SCHEMBL4498544

[CH2]CC(CC(C)(C)C)OCCCCC

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 1/20 0.46
CNR1 P21554 7/20 0.38
CNR2 P34972 7/20 0.38
ALDH1A1 P00352 1/20 0.38
LPAR1 Q92633 6/20 0.36
LPAR3 Q9UBY5 6/20 0.36
LPAR2 Q9HBW0 3/20 0.36
LPAR6 P43657 2/20 0.33
LPAR4 Q99677 2/20 0.33
LPAR5 Q9H1C0 2/20 0.33

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
SCHEMBL4489406 0.94 DNM1 (0.38) DNM1CNR1CNR2ALDH1A1LPAR1
SCHEMBL4498875 0.86
SCHEMBL4482395 0.82 DNM1 (0.50) DNM1CNR1CNR2ALDH1A1LPAR1
SCHEMBL27939609 0.81 LPAR1 (0.54) DNM1LPAR1LPAR3LPAR2LPAR6
SCHEMBL27531723 0.81 LPAR1 (0.54) DNM1LPAR1LPAR3LPAR2LPAR6
SCHEMBL28716629 0.81 LPAR1 (0.54) DNM1LPAR1LPAR3LPAR2LPAR6
SCHEMBL6050344 0.80 DNM1 (0.53) DNM1CNR1CNR2ALDH1A1LPAR1
SCHEMBL1904370 0.79 DNM1 (0.52) DNM1CNR1CNR2ALDH1A1LPAR1
SCHEMBL23380187 0.78 DNM1 (0.41) DNM1CNR1CNR2ALDH1A1LPAR1
SCHEMBL4498566 0.78 DNM1 (0.50) DNM1CNR1CNR2ALDH1A1LPAR1

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 10 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
CN-102796058-A Compound having thrombopoietin receptor agonism SHIONOGI & CO 2012-11-28 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 DNM1 3781/4885CNR1 172/4885CNR2 318/4885
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 DNM1 2139/4885CNR1 1423/4885CNR2 2143/4885

“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.