SCHEMBL4418052

SCHEMBL4418052

CCCCOc1cc(/C=C/C(=O)NCCc2ccc(O)cc2)ccc1OC

nearest known ligand 0.94

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.94
CNR1 P21554 1/20 0.64
MAPT P10636 4/20 0.63
LMNA P02545 2/20 0.63
KDM4E B2RXH2 2/20 0.60
ALDH1A1 P00352 2/20 0.60
TYR P14679 2/20 0.60
MAOA P21397 1/20 0.60
MAOB P27338 1/20 0.60
ACHE P22303 1/20 0.60
PKM P14618 1/20 0.59
HPGD P15428 2/20 0.57
ALOX5 P09917 1/20 0.57
HTT P42858 1/20 0.56

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
SCHEMBL4418060 1.00 CNR2 (0.94) CNR2CNR1MAPTLMNAKDM4E
SCHEMBL4409310 0.97 CNR2 (1.00) CNR2CNR1MAPTLMNAKDM4E
SCHEMBL4409314 0.97 CNR2 (1.00) CNR2CNR1MAPTLMNAKDM4E
SCHEMBL4414643 0.96 CNR2 (0.98) CNR2CNR1MAPTLMNAKDM4E
SCHEMBL4407541 0.96 CNR2 (0.98) CNR2CNR1MAPTLMNAKDM4E
SCHEMBL4407536 0.96 CNR2 (0.98) CNR2CNR1MAPTLMNAKDM4E
SCHEMBL4414646 0.96 CNR2 (0.98) CNR2CNR1MAPTLMNAKDM4E
SCHEMBL4414629 0.92 CNR2 (0.90) CNR2CNR1KDM4EALDH1A1TYR
SCHEMBL4414627 0.92 CNR2 (0.90) CNR2CNR1KDM4EALDH1A1TYR
SCHEMBL4409530 0.91 CNR2 (0.85) CNR2CNR1MAPTLMNAKDM4E

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-0887340-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL USE THEREOF Japan Tobacco Inc. (JP) 1998-12-30 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
WO-2002047691-A9 PROTECTION OF NEURONS AGAINST GLUTAMATE-INDUCED DAMAGE IN GLAUCOMA AND OTHER CONDITIONS AYOUB GEORGE S (US) 2003-11-20 WO disclosed
WO-2002047691-A1 PROTECTION OF NEURONS AGAINST GLUTAMATE-INDUCED DAMAGE IN GLAUCOMA AND OTHER CONDITIONS AYOUB GEORGE S (US) 2002-06-20 WO disclosed
US-20020077322-A1 Protection of neurons against glutamate-induced damage in glaucoma and other conditions AYOUB GEORGE S (US) 2002-06-20 US disclosed
US-6017919-A Compounds and pharmaceutical use thereof JAPAN TOBACCO INC. (JP) 2000-01-25 US disclosed
EP-0887340-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL USE THEREOF Japan Tobacco Inc. (JP) 1998-12-30 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-20050101590-A1 Cannabinoid receptor agonists CNR1, CNR2, OPRL1 CNR2 2/4885CNR1 1/4885MAPT 3869/4885
US-20080312292-A1 Antipruritics CNR1, CNR2, OPRL1 CNR2 2/4885CNR1 1/4885MAPT 3393/4885

“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.