SCHEMBL4493952

SCHEMBL4493952

CCCCCCCC[CH]OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.42
THRB P10828 1/20 0.38
FAAH O00519 4/20 0.38
TRPV1 Q8NER1 1/20 0.38
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C19 P33261 2/20 0.38
MEN1 O00255 1/20 0.38
TP53 P04637 1/20 0.38
SOAT1 P35610 1/20 0.38
KMT2A Q03164 1/20 0.38
DNM1 Q05193 3/20 0.36
GMNN O75496 1/20 0.35
USP2 O75604 1/20 0.35
POLB P06746 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
APEX1 P27695 1/20 0.35
RECQL P46063 1/20 0.35
BLM P54132 1/20 0.35

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
SCHEMBL4498202 1.00 TSHR (0.42) TSHRTHRBFAAHTRPV1CYP1A2
SCHEMBL4501230 1.00 TSHR (0.42) TSHRTHRBFAAHTRPV1CYP1A2
SCHEMBL4506940 1.00 TSHR (0.42) TSHRTHRBFAAHTRPV1CYP1A2
SCHEMBL2152771 1.00 TSHR (0.42) TSHRTHRBFAAHTRPV1CYP1A2
SCHEMBL4505586 1.00 TSHR (0.42) TSHRTHRBFAAHTRPV1CYP1A2
SCHEMBL1405724 0.98 TSHR (0.39) TSHRTHRBFAAHTRPV1CYP1A2
SCHEMBL4492043 0.90 TSHR (0.38) TSHR
SCHEMBL8986844 0.79 TSHR (0.41) TSHRTHRBFAAHTRPV1CYP1A2
SCHEMBL20580465 0.79 TSHR (0.41) TSHRTHRBFAAHTRPV1CYP1A2
SCHEMBL8765588 0.77 TSHR (0.39) TSHRTHRBFAAHTRPV1CYP1A2

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 11 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
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 TSHR 9/4885THRB 92/4885FAAH 891/4885
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 TSHR 757/4885THRB 2080/4885FAAH 1399/4885

“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.