SCHEMBL4490111

SCHEMBL4490111

CCCCCC(C)C[CH]OCC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.43
ACE2 Q9BYF1 1/20 0.37
TP53 P04637 1/20 0.35
ADH1B P00325 1/20 0.34
ADH1C P00326 1/20 0.34
ADH1A P07327 1/20 0.34
ADH4 P08319 1/20 0.34
ADH7 P40394 1/20 0.34
CA1 P00915 2/20 0.32
SPHK1 Q9NYA1 1/20 0.32
LMNA P02545 2/20 0.31
PRKD3 O94806 1/20 0.30
PRKCG P05129 1/20 0.30
PRKCB P05771 1/20 0.30
PRKCA P17252 1/20 0.30
PRKCH P24723 1/20 0.30
PRKCI P41743 1/20 0.30
PRKCE Q02156 1/20 0.30
PRKCQ Q04759 1/20 0.30
PRKCZ Q05513 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
SCHEMBL5835750 0.80 OPRM1 (0.40) OPRM1ACE2TP53ADH1BADH1C
SCHEMBL5835752 0.80 OPRM1 (0.40) OPRM1ACE2TP53ADH1BADH1C
SCHEMBL1005858 0.73 OPRM1 (0.44) OPRM1ACE2TP53ADH1BADH1C
SCHEMBL11314110 0.73 OPRM1 (0.44) OPRM1ACE2TP53ADH1BADH1C
SCHEMBL9212678 0.71 ACE2 (0.45) OPRM1ACE2ADH1BADH1CADH1A
SCHEMBL5686908 0.71 ACE2 (0.45) OPRM1ACE2ADH1BADH1CADH1A
SCHEMBL5684301 0.71 ACE2 (0.45) OPRM1ACE2ADH1BADH1CADH1A
SCHEMBL7743526 0.71 OPRM1 (0.42) OPRM1ACE2TP53ADH1BADH1C
SCHEMBL3885142 0.71 OPRM1 (0.42) OPRM1ACE2TP53ADH1BADH1C
SCHEMBL22902386 0.71 ADH1B (0.47) OPRM1ACE2TP53ADH1BADH1C

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 6 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-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
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 OPRM1 351/4885ACE2 1334/4885TP53 1588/4885
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 OPRM1 1761/4885ACE2 904/4885TP53 1123/4885

“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.