SCHEMBL502140

SCHEMBL502140

C=CCOCCOCCO[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 3/20 0.34
TP53 P04637 2/20 0.31
TSHR P16473 2/20 0.31
HIF1A Q16665 2/20 0.31
HSD17B10 Q99714 1/20 0.31
LMNA P02545 1/20 0.31
RAB9A P51151 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
SCHEMBL2296187 0.85 ALDH1A1 (0.33) ALDH1A1TP53TSHRHIF1AHSD17B10
SCHEMBL28277555 0.83 ALDH1A1 (0.46) ALDH1A1
SCHEMBL1773954 0.83 ALDH1A1 (0.46) ALDH1A1
SCHEMBL11792981 0.83 ALDH1A1 (0.46) ALDH1A1
SCHEMBL439675 0.83 ALDH1A1 (0.46) ALDH1A1
SCHEMBL437092 0.83 ALDH1A1 (0.46) ALDH1A1
SCHEMBL8753814 0.78 POLB (0.50) MEN1POLBKMT2AALDH1A1TP53
SCHEMBL177611 0.78 POLB (0.50) MEN1POLBKMT2AALDH1A1TP53
SCHEMBL8033989 0.78 POLB (0.50) MEN1POLBKMT2AALDH1A1TP53
SCHEMBL39378 0.78 POLB (0.50) MEN1POLBKMT2AALDH1A1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1791901-B1 STABILIZATION OF ORGANIC MATERIALS BASF SE (DE) 2018-03-28 EP disclosed
US-9051448-B2 Stabilization of organic materials BASF SE (DE) 2015-06-09 US disclosed
US-8980134-B2 Stabilization and surface modification of organic materials BASF SE (DE) 2015-03-17 US disclosed
EP-2276754-B1 STABILIZATION AND SURFACE MODIFICATION OF ORGANIC MATERIALS BASF SE (DE) 2014-12-03 EP disclosed
US-8518302-B2 Stabilization of organic materials BASF SE (DE) 2013-08-27 US disclosed
US-20120088869-A1 STABILIZATION OF ORGANIC MATERIALS GERSTER MICHELE (CH) 2012-04-12 US disclosed
US-8105504-B2 Stabilization of organic materials BASF SE (DE) 2012-01-31 US disclosed
US-20110160357-A1 STABILIZATION AND SURFACE MODIFICATION OF ORGANIC MATERIALS BASF SE (DE) 2011-06-30 US disclosed
EP-1786859-B1 STABILIZATION OF ORGANIC MATERIALS BASF SE (DE) 2011-06-08 EP disclosed
EP-2276754-A1 STABILIZATION AND SURFACE MODIFICATION OF ORGANIC MATERIALS BASF SE (DE) 2011-01-26 EP disclosed
US-20020115855-A1 Process for the preparation of 3-aryl-benzofuran-2-ones CIBA SPECIALTY CHEMICALS CORP. 2002-08-22 US disclosed
US-6362138-B1 WEAR AND OXIDATION RESISTANCE; FOR INTERNAL COMBUSTION ENGINES CIBA SPECIALTY CHEMICALS CORPORATION 2002-03-26 US disclosed
EP-1170296-A2 Process for the preparation of 3-aryl-benzofuran-2-ones Ciba SC Holding AG (CH) 2002-01-09 EP disclosed
WO-2001059000-A1 NEW 3-ARYLBENZOFURANONES WITH ELECTRON-WITHDRAWING SUBSTITUENTS AS STABILIZERS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2001-08-16 WO disclosed
US-6255259-B1 COMPOUND CONTAINING 1,3,4-THIADIAZOLE RING CIBA SPECIALTY CHEMICALS CORPORATION 2001-07-03 US disclosed
US-6150307-A Heterocyclic thioethers as additives for lubricants CIBA SPECIALTY CHEMICALS CORPORATION (US) 2000-11-21 US disclosed
US-6127327-A METAL-FREE, OBTAINABLE BY REACTING A POLYUNSATURATED POLYMER, FOR EXAMPLE POLYBUTADIENE, POLYISOPRENE, RING-OPENING POLYMERISED POLYCYCLOOCTENAMER OR POLYCYCLONORBORNENE WITH A MERCAPTAN OF GIVEN FORMULA; LOW VOLATILITY, OIL SOLUBILITY CIBA SPECIALTY CHEMICALS CORPORATION (US) 2000-10-03 US disclosed
US-6100406-A Benzothiazolylthio or thiadiazolylthio substituted phenols as multifunctional additives for lubricants CIBA SPECIALTY CHEMICALS CORPORATION (US) 2000-08-08 US disclosed
WO-1999048997-A1 STABILISATION OF ORGANIC MATERIALS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 1999-09-30 WO disclosed
US-4932980-A SOLVENT AND GRAFT POLYMER OF ETHYLENE, VINYL ACETATE AND METHACRYLIC ACID ESTERS ROHM GMBH (DE) 1990-06-12 US 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-20020115855-A1 Process for the preparation of 3-aryl-benzofuran-2-ones CYP1B1, CYP1A1, SULT1A1 MEN1 4039/4885POLB 1064/4885KMT2A 2388/4885
US-20120088869-A1 STABILIZATION OF ORGANIC MATERIALS LPO, AOX1, SOD1 MEN1 2360/4885POLB 858/4885KMT2A 2949/4885
US-20110160357-A1 STABILIZATION AND SURFACE MODIFICATION OF ORGANIC MATERIALS SOD1, EPCAM, AOX1 MEN1 1653/4885POLB 1313/4885KMT2A 1452/4885

“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.