SCHEMBL644930

SCHEMBL644930

CCCc1c(C)n(C)n(-c2ccccc2)c1=O

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.60
KDM4E B2RXH2 3/20 0.59
ALDH1A1 P00352 4/20 0.57
ALOX15 P16050 2/20 0.57
BCHE P06276 1/20 0.57
PTGS2 P35354 1/20 0.57
KMT2A Q03164 3/20 0.56
MEN1 O00255 2/20 0.56
NPSR1 Q6W5P4 1/20 0.56
LMNA P02545 2/20 0.55
ADORA3 P0DMS8 1/20 0.55
TSHR P16473 3/20 0.54
CYP1A2 P05177 2/20 0.54
THRB P10828 2/20 0.54
NAPRT Q6XQN6 1/20 0.54
HSD17B10 Q99714 1/20 0.51
GAA P10253 3/20 0.50
MAPT P10636 2/20 0.50
CYP2D6 P10635 1/20 0.50
MPI P34949 1/20 0.50

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
SCHEMBL1780443 0.87 KDM4E (0.59) POLBKDM4EALDH1A1ALOX15BCHE
SCHEMBL4324895 0.87 ALOX15 (0.60) POLBKDM4EALDH1A1ALOX15BCHE
SCHEMBL11474990 0.86 BCHE (0.59) POLBKDM4EALDH1A1ALOX15BCHE
SCHEMBL1780354 0.86 ALDH1A1 (0.59) POLBKDM4EALDH1A1ALOX15BCHE
4,4-Diantipyrylmethane Monohydrate SCHEMBL3879841 0.85 ALOX15 (0.62) POLBKDM4EALDH1A1ALOX15BCHE
4,4-Diantipyrylmethane Monohydrate SCHEMBL8664775 0.83 ALOX15 (0.60) POLBKDM4EALDH1A1ALOX15BCHE
SCHEMBL2966930 0.82 ALOX15 (0.63) POLBKDM4EALDH1A1ALOX15BCHE
SCHEMBL28049673 0.82 BCHE (0.63) POLBKDM4EALDH1A1ALOX15BCHE
SCHEMBL22689599 0.81 KDM4E (0.63) POLBKDM4EALDH1A1ALOX15BCHE
SCHEMBL28434462 0.80 BCHE (0.56) POLBKDM4EALDH1A1ALOX15BCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200140290-A1 Remediation of physiologically active compounds from waste water SECURE NATURAL RESOURCES LLC (US) 2020-05-07 US claimed
US-20140024697-A1 CO-CRYSTALS OF DULOXETINE AND COX-INHIBITORS FOR THE TREATMENT OF PAIN LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2014-01-23 US claimed
US-8501802-B2 Co-crystals of duloxetine and COX-INHIBITORs for the treatment of pain LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2013-08-06 US claimed
EP-2580165-A1 REMEDIATION OF PHYSIOLOGICALLY ACTIVE COMPOUNDS FROM WASTE WATER Molycorp Minerals, LLC (US) 2013-04-17 EP claimed
US-20110160273-A1 CO-CRYSTALS OF DULOXETINE AND COX-INHIBITORS FOR THE TREATMENT OF PAIN ESTEVE PHARMACEUTICALS, S.A. (ES) 2011-06-30 US claimed
EP-2291345-A1 CO-CRYSTALS OF DULOXETINE AND COX-INHIBITORS FOR THE TREATMENT OF PAIN Laboratorios Del. Dr. Esteve, S.A. (ES) 2011-03-09 EP claimed
WO-2011015360-A1 PHARMACEUTICAL COMPOUNDS OF O-DESMETHYL-TRAMADOL AND COX-INHIBITORS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2011-02-10 WO claimed
EP-2281558-A1 Pharmaceutical compounds of O-Desmethyl-Tramadol and COX-inhibitors Laboratorios Del. Dr. Esteve, S.A. (ES) 2011-02-09 EP claimed
WO-2009141144-A1 CO-CRYSTALS OF DULOXETINE AND COX-INHIBITORS FOR THE TREATMENT OF PAIN LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2009-11-26 WO claimed
EP-2123626-A1 Co-crystals of duloxetine and co-crystal formers for the treatment of pain Laboratorios del Dr. Esteve S.A. (ES) 2009-11-25 EP claimed
US-6849623-B2 Xanthine and phenazone-acesulfame-H complexes having improved taste, process for their preparation and their use NUTRINOVA NUTRITION SPECIALTIES & FOOD INGREDIENTS GMBH (DE) 2005-02-01 US claimed
EP-1200521-B1 DISPERSION COMPRISING A NON-IONIC EMULSIFIER ROEHM GMBH (DE) 2004-11-10 EP claimed
EP-1270573-B1 Xanthine and phenazone acesulfam-H complexes with improved taste, process for their preparation and their use NUTRINOVANUTRITION SPECIALTIES (DE) 2004-09-01 EP claimed
US-20030119909-A1 Stabilized medicament containing cysteinyl derivatives STANISLAUS, FRITZ (DE) 2003-06-26 US claimed
US-20030008865-A1 Xanthine-and phenazone-acesulfame-H complexes having improved taste, process for their preparation and their use NUTRINOVA NUTRITION SPECIALTIES & FOOD INGREDIENTS GMBH (DE) 2003-01-09 US claimed
EP-1270573-A1 Xanthine and phenazone acesulfam-H complexes with improved taste, process for their preparation and their use Nutrinova Nutrition Specialties & Food Ingredients GmbH (DE) 2003-01-02 EP claimed
US-20020037855-A1 Stabilized medicament containing cysteinyl derivatives STANISLAUS FRITZ (DE) 2002-03-28 US claimed
EP-1067942-A1 HIGH-ENERGY CYCLODEXTRIN COMPLEXES Cyclops, EHF. (IS) 2001-01-17 EP claimed
WO-1999042111-A1 HIGH-ENERGY CYCLODEXTRIN COMPLEXES CYCLOPS, EHF. (IS) 1999-08-26 WO claimed
WO-1998052616-A2 NONSTEROIDAL ANTIRHEUMATIC AGENTS OR THROMBOCYTE-AGGLUTINATION INHIBITORS TO IMPROVE REPRESENTATION OF VESSELS, LYMPH NODES AND BONE MARROW WITH PHARMACEUTICAL PREPARATIONS CONTAINING PARTICLES, VESICLES OF POLYMERS Institut für Diagnostikforschung GmbH an der Freien Universität Berlin (DE) 1998-11-26 WO 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 (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-20140024697-A1 CO-CRYSTALS OF DULOXETINE AND COX-INHIBITORS FOR THE TREATMENT OF PAIN OPRL1, OPRK1, HTR5A POLB 4497/4885KDM4E 1367/4885ALDH1A1 531/4885
US-20110160273-A1 CO-CRYSTALS OF DULOXETINE AND COX-INHIBITORS FOR THE TREATMENT OF PAIN OPRL1, OPRK1, HTR5A POLB 4497/4885KDM4E 1367/4885ALDH1A1 531/4885
US-20030008865-A1 Xanthine-and phenazone-acesulfame-H complexes having improved taste, process for their preparation and their use PDXK, XDH, ACE POLB 1342/4885KDM4E 1582/4885ALDH1A1 841/4885

“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.