SCHEMBL4495455

SCHEMBL4495455

[CH2]CC(CCCCC)OC(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 3/20 0.33
OPRM1 P35372 1/20 0.33
LMNA P02545 1/20 0.31
CA2 P00918 1/20 0.31
DNM1 Q05193 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
SCHEMBL4483055 0.94 CA2 (0.31) CA2DNM1
SCHEMBL8936264 0.89 SMPD1 (0.33) SMPD1LMNACA2DNM1
SCHEMBL4494884 0.85
SCHEMBL24627492 0.85 SMPD1 (0.41) SMPD1OPRM1LMNACA2DNM1
SCHEMBL24627696 0.85 SMPD1 (0.41) SMPD1OPRM1LMNACA2DNM1
SCHEMBL27746140 0.84 SMPD1 (0.35) SMPD1OPRM1LMNACA2DNM1
SCHEMBL22518413 0.83 OPRM1 (0.36) SMPD1OPRM1LMNACA2DNM1
SCHEMBL11102711 0.78 SMPD1 (0.32) SMPD1OPRM1LMNA
SCHEMBL4501572 0.76 OPRM1 (0.31) OPRM1
SCHEMBL11555769 0.76 MEN1 (0.35) SMPD1OPRM1

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 SMPD1 1597/4885OPRM1 351/4885LMNA 4108/4885
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 SMPD1 1639/4885OPRM1 1761/4885LMNA 1194/4885

“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.