SCHEMBL4416433

SCHEMBL4416433

CCCCCOc1cc2cc(C(=O)OC)c(=O)[nH]c2cc1OC

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.50
DYRK1B Q9Y463 1/20 0.50
CNR2 P34972 13/20 0.49
PDE3B Q13370 1/20 0.46
PDE3A Q14432 1/20 0.46
CNR1 P21554 3/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
SMPD1 P17405 3/20 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
SCHEMBL11952534 0.91 DYRK1A (0.53) DYRK1ADYRK1BCNR2
SCHEMBL4414669 0.89 CNR2 (0.57) DYRK1ADYRK1BCNR2PDE3BPDE3A
SCHEMBL10318671 0.88 DYRK1A (0.54) DYRK1ADYRK1BCNR2
SCHEMBL10319867 0.88 DYRK1A (0.54) DYRK1ADYRK1BCNR2
SCHEMBL10319865 0.86 DYRK1A (0.61) DYRK1ADYRK1BCNR2
SCHEMBL10320719 0.85 DYRK1A (0.52) DYRK1ADYRK1B
SCHEMBL10320590 0.84 DYRK1A (0.49) DYRK1ADYRK1BCNR2
SCHEMBL10320628 0.80 SRD5A1 (0.67) DYRK1ADYRK1BSMPD1
SCHEMBL10320741 0.79 KDM4E (0.52) DYRK1ADYRK1B
SCHEMBL7222671 0.78 SRD5A1 (0.65) CNR2PDE3BPDE3ASMPD1

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
US-20030191069-A1 2-oxoquinoline compounds and pharmaceutical uses thereof JAPAN TOBACCO, INC (JP) 2003-10-09 US claimed
US-6509352-B1 Selectively act on cannabinoid receptors, particularly on peripheral type cannabinoid receptors, and have fewer side effects on the central nervous system, having great immunosuppressive action, anti-inflammatory action or JAPAN TOBACCO INC. (JP) 2003-01-21 US claimed
EP-1142877-A1 2-OXOQUINOLINE COMPOUNDS AND MEDICINAL USES THEREOF JAPAN TOBACCO INC. (JP) 2001-10-10 EP claimed
EP-2130820-A1 Antipruritics SHIONOGI & CO., LTD. (JP) 2009-12-09 EP disclosed
US-20080312292-A1 Antipruritics YASUI KIYOSHI 2008-12-18 US disclosed
US-20050101590-A1 Cannabinoid receptor agonists SHIONOGI & CO., LTD. (JP) 2005-05-12 US disclosed
EP-1477186-A1 ANTIPRURITICS SHIONOGI & CO., LTD. (JP) 2004-11-17 EP disclosed
US-6806276-B2 SIDE EFFECT REDUCTION ON CENTRAL NERVOUS SYSTEM; IMMUNOSUPPRESSANTS; ANTIINFLAMMATORY AGENTS; ANTIALLERGENS JAPAN TOBACCO INC. (JP) 2004-10-19 US disclosed
US-20030191069-A1 2-oxoquinoline compounds and pharmaceutical uses thereof JAPAN TOBACCO, INC (JP) 2003-10-09 US disclosed
US-6509352-B1 Selectively act on cannabinoid receptors, particularly on peripheral type cannabinoid receptors, and have fewer side effects on the central nervous system, having great immunosuppressive action, anti-inflammatory action or JAPAN TOBACCO INC. (JP) 2003-01-21 US disclosed
EP-1142877-A1 2-OXOQUINOLINE COMPOUNDS AND MEDICINAL USES THEREOF JAPAN TOBACCO INC. (JP) 2001-10-10 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 (3 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-20050101590-A1 Cannabinoid receptor agonists CNR1, CNR2, OPRL1 DYRK1A 798/4885DYRK1B 1075/4885CNR2 2/4885
US-20030191069-A1 2-oxoquinoline compounds and pharmaceutical uses thereof CNR2, CNR1, OPRL1 DYRK1A 1592/4885DYRK1B 1792/4885CNR2 1/4885
US-20080312292-A1 Antipruritics CNR1, CNR2, OPRL1 DYRK1A 1576/4885DYRK1B 2160/4885CNR2 2/4885

“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.