SCHEMBL4486003

SCHEMBL4486003

OCCCCCCCCc1ccc2ccccc2c1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.59
HDAC8 Q9BY41 1/20 0.59
CYP1A2 P05177 2/20 0.59
SIGMAR1 Q99720 3/20 0.56
NAAA Q02083 1/20 0.49
CYP2A6 P11509 1/20 0.48
HCAR2 Q8TDS4 1/20 0.47
PKM P14618 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
BCHE P06276 1/20 0.46
PDE3B Q13370 1/20 0.44
PDE3A Q14432 1/20 0.44
P2RY12 Q9H244 1/20 0.44
MC4R P32245 1/20 0.43
MC5R P33032 1/20 0.43

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
SCHEMBL129285 1.00 HDAC1 (0.59) HDAC1HDAC8CYP1A2SIGMAR1NAAA
SCHEMBL133001 1.00 HDAC1 (0.59) HDAC1HDAC8CYP1A2SIGMAR1NAAA
SCHEMBL12982444 1.00 HDAC1 (0.59) HDAC1HDAC8CYP1A2SIGMAR1NAAA
SCHEMBL130490 0.98 CYP1A2 (0.61) HDAC1HDAC8CYP1A2SIGMAR1NAAA
SCHEMBL2307677 0.92 CYP1A2 (0.54) HDAC1HDAC8CYP1A2SIGMAR1NAAA
SCHEMBL2310861 0.92 CYP1A2 (0.54) HDAC1HDAC8CYP1A2SIGMAR1NAAA
SCHEMBL31265269 0.92 CYP1A2 (0.62) HDAC1HDAC8CYP1A2SIGMAR1CYP2A6
SCHEMBL81147 0.92 CYP1A2 (0.62) HDAC1HDAC8CYP1A2SIGMAR1CYP2A6
SCHEMBL30418043 0.90 SIGMAR1 (0.66) HDAC1HDAC8CYP1A2SIGMAR1NAAA
SCHEMBL30418669 0.88 SIGMAR1 (0.68) HDAC1HDAC8CYP1A2SIGMAR1NAAA

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-2841433-B1 TETRAZOLINONE COMPOUNDS AND ITS USE SUMITOMO CHEMICAL CO (JP) 2017-06-21 EP disclosed
EP-1655291-B1 COMPOUNDS HAVING THROMBOPOIETIN RECEPTOR AGONISM SHIONOGI & CO (JP) 2016-08-03 EP disclosed
US-9380782-B2 Tetrazolinone compounds and its use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-07-05 US disclosed
US-20150031733-A1 TETRAZOLINONE COMPOUNDS AND ITS USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-01-29 US disclosed
EP-2520570-A1 AMINOPYRIDINE COMPOUND Ube Industries, Ltd. (JP) 2012-11-07 EP disclosed
US-20120259123-A1 AMINOPYRIDINE COMPOUND UBE INDUSTRIES, LTD. (JP) 2012-10-11 US 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 (4 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 HDAC1 1573/4885HDAC8 2728/4885CYP1A2 1661/4885
US-20150031733-A1 TETRAZOLINONE COMPOUNDS AND ITS USE CBR3, CYP51A1, CYP8B1 HDAC1 475/4885HDAC8 2026/4885CYP1A2 18/4885
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 HDAC1 506/4885HDAC8 2456/4885CYP1A2 627/4885
US-20120259123-A1 AMINOPYRIDINE COMPOUND PTGIS, QDPR, PTGIR HDAC1 2557/4885HDAC8 3651/4885CYP1A2 551/4885

“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.