SCHEMBL4489680

SCHEMBL4489680

CCCCO[CH]C1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.35
NAAA Q02083 3/20 0.33
TSHR P16473 1/20 0.32
ADRB2 P07550 1/20 0.31
ADRB1 P08588 1/20 0.31
ADRB3 P13945 1/20 0.31

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
SCHEMBL4488797 0.94 CYP1A2 (0.39) CYP1A2NAAA
SCHEMBL4484733 0.92 ALDH1A1 (0.39) CYP1A2NAAATSHR
SCHEMBL22589043 0.92 ALDH1A1 (0.39) CYP1A2NAAATSHR
SCHEMBL4499268 0.87 ADH1A (0.35) CYP1A2
SCHEMBL4494360 0.84 POLB (0.33) TSHR
SCHEMBL23576547 0.81 ALDH1A1 (0.42) TSHR
SCHEMBL2699137 0.78 SHBG (0.32) CYP1A2
SCHEMBL3024016 0.75
SCHEMBL2908387 0.73 ATM (0.42) NAAATSHR
SCHEMBL7561335 0.73 ALDH1A1 (0.37) CYP1A2NAAA

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 5 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
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 CYP1A2 1661/4885SMN1; SMN2 2933/4885NAAA 2194/4885
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 CYP1A2 627/4885SMN1; SMN2 2548/4885NAAA 446/4885

“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.