SCHEMBL1639092

SCHEMBL1639092

CC(C)=CC(C)N1C(=O)c2ccccc2C1=O

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.49
▸ ALDH1A1 P00352 6/20 0.47
▸ TDP1 Q9NUW8 1/20 0.46
▸ TSHR P16473 1/20 0.44
▸ HTT P42858 2/20 0.44
▸ NPC1 O15118 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ HPGD P15428 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ CASP3 P42574 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ POLB P06746 1/20 0.41

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
SCHEMBL9385741 0.81 TDP1 (0.50) LMNAALDH1A1TDP1TSHRHTT
SCHEMBL15308670 0.80 MAPT (0.49) LMNAALDH1A1TDP1TP53HPGD
SCHEMBL4715603 0.79 TDP1 (0.50) LMNAALDH1A1TDP1TSHRHTT
SCHEMBL31688086 0.79 TDP1 (0.50) LMNAALDH1A1TDP1TSHRHTT
SCHEMBL31688087 0.77 LMNA (0.49) LMNAALDH1A1TDP1TSHRHTT
SCHEMBL4623781 0.77 TDP1 (0.49) LMNAALDH1A1TDP1TSHRHTT
SCHEMBL4624003 0.77 TDP1 (0.49) LMNAALDH1A1TDP1TSHRHTT
SCHEMBL15561472 0.77 TDP1 (0.49) LMNAALDH1A1TDP1TSHRHTT
SCHEMBL11964484 0.77 TDP1 (0.49) LMNAALDH1A1TDP1TSHRHTT
SCHEMBL31688073 0.76 LMNA (0.47) LMNAALDH1A1TDP1TSHRHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2673244-B1 PROCESS FOR THE OXIDATION OF MESITOL BASF SE (DE) 2017-09-27 — — EP disclosed
US-8957260-B2 Process for the oxidation of mesitol BASF SE (DE) 2015-02-17 — — US disclosed
EP-2673244-A1 PROCESS FOR THE OXIDATION OF MESITOL BASF SE (DE) 2013-12-18 — — EP disclosed
CN-103402950-A Method for oxidizing star phenol BASF SE 2013-11-20 — — CN disclosed
WO-2012107877-A1 PROCESS FOR THE OXIDATION OF MESITOL BASF SE (DE) 2012-08-16 — — WO disclosed
US-20120203013-A1 PROCESS FOR THE OXIDATION OF MESITOL BASF SE (DE) 2012-08-09 — — US disclosed
US-20110098488-A1 Process for Oxidizing Organic Substrates By Means of Singlet Oxygen Using a Modified Molybdate LDH Catalyst DSM FINE CHEMICALS AUSTRIA NFG GMBH & CO KG (AT) 2011-04-28 — — US disclosed
CN-101160273-A Process for oxidizing organic substrates by means of singlet oxygen using a modified molybdate ldh catalyst DSM FINE CHEM AUSTRIA GMBH (AT) 2008-04-09 — — CN disclosed
EP-1874710-A1 PROCESS FOR OXIDIZING ORGANIC SUBSTRATES BY MEANS OF SINGLET OXYGEN USING A MODIFIED MOLYBDATE LDH CATALYST DSM Fine Chemicals Austria Nfg GmbH & Co KG (AT) 2008-01-09 — — EP disclosed
WO-2007042114-A1 PROCESS FOR THE OXIDATION OF ORGANIC SUBSTRATES BY MEANS OF SINGLET OXYGEN AT HIGH REACTION TEMPERATURES DSM FINE CHEMICALS AUSTRIA NFG GMBH & CO KG (AT) 2007-04-19 — — WO disclosed
US-6956137-B1 Singlet oxygen oxidation of organic substrates DSM FINE CHEMICALS AUSTRIA NFG GMBH & CO KG (AT) 2005-10-18 — — US disclosed
US-20040166052-A1 Process for generating singlet oxygen and use thereof DSM FINE CHEMICALS AUSTRIA NFG GMBH & CO KG (AT) 2004-08-26 — — US disclosed
EP-1447378-A1 Singlet oxygen production from Sn(II) salt and ozone DSM Fine Chemicals Austria Nfg GmbH & Co KG (AT) 2004-08-18 — — EP disclosed
EP-1447379-A2 Process for generating singulet oxygen and use thereof DSM Fine Chemicals Austria Nfg GmbH & Co KG (AT) 2004-08-18 — — EP disclosed
US-20040156776-A1 Singlet oxygen oxidation of organic substrates DSM FINE CHEMICALS AUSTRIA NFG GMBH & CO KG (AT) 2004-08-12 — — US disclosed
EP-1173396-B1 SINGLET OXYGEN OXIDATION OF ORGANIC SUBSTRATES DSM FINE CHEM AUSTRIA GMBH (AT) 2004-05-19 — — EP disclosed
EP-1169281-B1 SINGLET OXYGEN OXIDATION OF ORGANIC SUBSTRATES DSM FINE CHEM AUSTRIA GMBH (AT) 2004-02-18 — — EP disclosed
US-6486360-B1 Singlet oxygen oxidation of organic substrates DSM FINE CHEMICALS AUSTRIA NFG GMBH & CO KG (AT) 2002-11-26 — — US disclosed
EP-1173396-A1 SINGLET OXYGEN OXIDATION OF ORGANIC SUBSTRATES DSM Fine Chemicals Austria GmbH (AT) 2002-01-23 — — EP disclosed
WO-2000064842-A1 SINGLET OXYGEN OXIDATION OF ORGANIC SUBSTRATES DSM FINE CHEMICALS AUSTRIA GMBH (AT) 2000-11-02 — — WO 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 (1 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-20110098488-A1 Process for Oxidizing Organic Substrates By Means of Singlet Oxygen Using a Modified Molybdate LDH Catalyst LDHB, HAO2, LDHA LMNA 1901/4885ALDH1A1 236/4885TDP1 379/4885

“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.

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