SCHEMBL490946

SCHEMBL490946

CCCCCCCC(C)CCC(O)C(=NO)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 1/20 0.43
CSNK1E P49674 1/20 0.40
CES2 O00748 2/20 0.37
CES1 P23141 2/20 0.37
ALDH1A1 P00352 2/20 0.36
NAAA Q02083 2/20 0.36
GPR84 Q9NQS5 3/20 0.36
PRSS1 P07477 2/20 0.36
CTSG P08311 2/20 0.36
CTRB1 P17538 2/20 0.36
CMA1 P23946 2/20 0.36
FFAR1 O14842 1/20 0.36
ASAH1 Q13510 1/20 0.34
ACER2 Q5QJU3 1/20 0.34
MMP2 P08253 1/20 0.34
MMP9 P14780 1/20 0.34
MMP12 P39900 1/20 0.34

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
SCHEMBL11587804 0.90 GPR84 (0.44) CSNK1ECES2CES1ALDH1A1NAAA
SCHEMBL28204364 0.90 GPR84 (0.44) CSNK1ECES2CES1ALDH1A1NAAA
SCHEMBL5711604 0.85 CSNK1E (0.39) CSNK1ECES2CES1ALDH1A1NAAA
SCHEMBL7597024 0.81 CES2 (0.41) ACE2CSNK1ECES2CES1ALDH1A1
SCHEMBL8903692 0.81 CES2 (0.41) ACE2CSNK1ECES2CES1ALDH1A1
SCHEMBL3844012 0.80 ACE2 (0.53) ACE2CSNK1ECES2CES1ALDH1A1
SCHEMBL12482425 0.80 CSNK1E (0.41) CSNK1ECES2CES1ALDH1A1NAAA
SCHEMBL12485912 0.80 CSNK1E (0.41) CSNK1ECES2CES1ALDH1A1NAAA
SCHEMBL8910003 0.79 CES2 (0.40) CSNK1ECES2CES1ALDH1A1NAAA
SCHEMBL5706450 0.79 POLB (0.41) ALDH1A1

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 311 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1251818-B9 GALENIC FORMULATION MERCK PATENT GMBH (DE) 2009-01-07 EP claimed
US-20080199414-A1 COSMETIC FORMULATION COMPRISING FLAVONOID DERIVATIVES WIRTH CORINNA 2008-08-21 US claimed
EP-1267819-B1 Quinoxaline derivatives, compositions containing them und use as UV-filter MERCK PATENT GMBH (DE) 2008-08-06 EP claimed
EP-1251818-B1 GALENIC FORMULATION MERCK PATENT GMBH (DE) 2008-07-02 EP claimed
EP-1373270-B1 TRICYCLIC QUINOXALINE DERIVATIVES AS A UV FILTER MERCK PATENT GMBH (DE) 2007-06-06 EP claimed
EP-1566175-B1 Topical preparation comprising at least one aryloxime and bisabolol MERCK PATENT GMBH (DE) 2006-10-25 EP claimed
US-20050249761-A1 Topical composition comprising at least one aryl oxime and bisabolol MERCK PATENT GESELLSCHAFT MIT BECHRANKTER HAFTUNG (DE) 2005-11-10 US claimed
EP-1566175-A1 Topical preparation comprising at least one aryloxime and bisabolol MERCK PATENT GmbH (DE) 2005-08-24 EP claimed
US-6903134-B2 Formulation comprising benzofuranone derivatives for protection against oxidative stress MERCK PATENT GMBH (DE) 2005-06-07 US claimed
EP-1250331-B1 FORMULATION FOR PROTECTION AGAINST OXIDATIVE STRESS CONTAINING BENZOFURANONE DERIVATIVES MERCK PATENT GMBH (DE) 2004-11-03 EP claimed
US-20030060426-A1 Formulation for protection against oxidative stress containing benzofuranone derivatives MERCK PATENT GMBH (DE) 2003-03-27 US claimed
US-20030039619-A1 Galenic formulation MERCK PATENT GMBH (DE) 2003-02-27 US claimed
EP-1267819-A2 PREPARATION CONTAINING QUINOXALINE DERIVATIVES MERCK PATENT GmbH (DE) 2003-01-02 EP claimed
EP-1251818-A1 GALENIC FORMULATION MERCK PATENT GmbH (DE) 2002-10-30 EP claimed
WO-2002069926-A1 COSMETIC FORMULATIONS CONTAINING FLAVONOID DERIVATIVES MERCK PATENT GMBH (DE) 2002-09-12 WO claimed
WO-2001068047-A2 PREPARATION CONTAINING QUINOXALINE DERIVATIVES MERCK PATENT GMBH (DE) 2001-09-20 WO claimed
WO-2001054653-A1 GALENIC FORMULATION MERCK PATENT GMBH (DE) 2001-08-02 WO claimed
EP-0389773-B1 PROCESS FOR PREPARING A GALENIC FORMULATION OF 2-HYDROXY-5-METHYLLAUROPHENONOXIME WITH OPTIMAL BIOAVAILABILITY Salutas Fahlberg-List Pharma GmbH (DE) 1993-09-22 EP claimed
EP-0389773-A2 Process for preparing a galenic formulation of 2-hydroxy-5-methyllaurophenonoxime with optimal bioavailability Salutas Fahlberg-List Pharma GmbH (DE) 1990-10-03 EP claimed
US-4816487-A ANTIALLERGENS HUMBOLDT-UNIVERSITAET ZU BERLIN (DD) 1989-03-28 US claimed

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-20030060426-A1 Formulation for protection against oxidative stress containing benzofuranone derivatives NQO1, NFE2L2, GPX4 ACE2 3385/4885CSNK1E 2493/4885CES2 2482/4885
US-20030039619-A1 Galenic formulation GALR2, GALE, GLA ACE2 2563/4885CSNK1E 1293/4885CES2 306/4885
US-20050249761-A1 Topical composition comprising at least one aryl oxime and bisabolol TYR, CYP1B1, AHR ACE2 1323/4885CSNK1E 1692/4885CES2 147/4885
US-20080199414-A1 COSMETIC FORMULATION COMPRISING FLAVONOID DERIVATIVES TYR, MITF, TEAD3 ACE2 1632/4885CSNK1E 4211/4885CES2 3742/4885

“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.