SCHEMBL4497381

SCHEMBL4497381

[CH2]CCOCCC1CCCC1

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 1/20 0.36
CYP1A2 P05177 1/20 0.34
SIGMAR1 Q99720 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.30
EPHX1 P07099 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
SCHEMBL9864420 0.98 NFE2L2 (0.39) NFE2L2CYP1A2SIGMAR1SMN1; SMN2EPHX1
SCHEMBL129003 0.90
SCHEMBL8986251 0.87 NFE2L2 (0.42) NFE2L2CYP1A2SIGMAR1SMN1; SMN2EPHX1
SCHEMBL8743871 0.85 CYP1A2 (0.46) NFE2L2CYP1A2SIGMAR1SMN1; SMN2EPHX1
SCHEMBL11224710 0.85 CYP1A2 (0.46) NFE2L2CYP1A2SIGMAR1SMN1; SMN2EPHX1
SCHEMBL24042735 0.82 NFE2L2 (0.39) NFE2L2CYP1A2SIGMAR1SMN1; SMN2EPHX1
SCHEMBL21938959 0.82 CYP1A2 (0.44) NFE2L2CYP1A2SIGMAR1SMN1; SMN2EPHX1
SCHEMBL28329353 0.82 NFE2L2 (0.38) NFE2L2CYP1A2SIGMAR1SMN1; SMN2EPHX1
SCHEMBL4915411 0.81 NFE2L2 (0.40) NFE2L2CYP1A2SIGMAR1SMN1; SMN2EPHX1
SCHEMBL129266 0.78 HTR2A (0.31) SIGMAR1

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 NFE2L2 4340/4885CYP1A2 1661/4885SIGMAR1 494/4885
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 NFE2L2 3834/4885CYP1A2 627/4885SIGMAR1 765/4885

“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.