SCHEMBL733739

SCHEMBL733739

O=C(O)Oc1ccccc1OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPG P10696 1/20 0.54
PTK2B Q14289 1/20 0.54
RXRA P19793 3/20 0.54
BRD4 O60885 1/20 0.54
NPC1 O15118 1/20 0.54
MAPT P10636 1/20 0.53
MAPK1 P28482 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
LIPE Q05469 1/20 0.53
SGMS2 Q8NHU3 2/20 0.53
ATM Q13315 1/20 0.53
PTGER1 P34995 1/20 0.51
PTGER4 P35408 1/20 0.51
PTGER3 P43115 1/20 0.51
PTGER2 P43116 1/20 0.51
RXRB P28702 2/20 0.50
MRGPRX4 Q96LA9 2/20 0.50
RXRG P48443 1/20 0.50
HPGD P15428 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
SCHEMBL1115032 0.85 PTPN1 (0.61) ALPGPTK2BRXRABRD4NPC1
SCHEMBL27595889 0.84 SGMS2 (0.57) NPC1MAPTL3MBTL1SGMS2PTGER1
SCHEMBL339812 0.83 MAPT (0.71) ALPGPTK2BRXRABRD4MAPT
SCHEMBL5843845 0.82 NPC1 (0.49) ALPGPTK2BRXRABRD4NPC1
SCHEMBL3804975 0.82 NPC1 (0.54) ALPGPTK2BRXRABRD4NPC1
Formaldehyde SCHEMBL27831678 0.81 MAPT (0.63) ALPGPTK2BRXRABRD4MAPT
SCHEMBL6026935 0.81 NPC1 (0.51) ALPGPTK2BRXRABRD4NPC1
SCHEMBL27461034 0.81 TDP1 (0.52) ALPGPTK2BRXRABRD4NPC1
SCHEMBL27276089 0.81 BRD4 (0.55) ALPGPTK2BRXRABRD4NPC1
SCHEMBL143632 0.81 KDM4E (0.46) MAPTTDP1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9801374-B2 Active compound combinations comprising carboxamide derivatives BAYER CROPSCIENCE AG (DE) 2017-10-31 US disclosed
US-20150245610-A1 ACTIVE COMPOUND COMBINATIONS COMPRISING CARBOXAMIDE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2015-09-03 US disclosed
EP-2908639-A1 ACTIVE COMPOUND COMBINATIONS COMPRISING CARBOXAMIDE DERIVATIVES Bayer Cropscience AG (DE) 2015-08-26 EP disclosed
US-9102623-B2 Pyridinecarboxamides, useful-plant-protecting composition comprising them and processes for their preparation and their use BAYER CROPSCIENCE AG (DE) 2015-08-11 US disclosed
WO-2014060502-A1 ACTIVE COMPOUND COMBINATIONS COMPRISING CARBOXAMIDE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2014-04-24 WO disclosed
EP-2675277-A1 SYNERGISTIC COMBINATIONS CONTAINING A DITHIINO-TETRACARBOXAMIDE FUNGICIDE AND A HERBICIDE, SAFENER OR PLANT GROWTH REGULATOR Bayer Intellectual Property GmbH (DE) 2013-12-25 EP disclosed
US-20130316901-A1 SYNERGISTIC COMBINATIONS CONTAINING A DITHINO-TETRACARBOXAMIDE FUNGICIDE AND A HERBICIDE, SAFENER OR PLANT GROWTH REGULATOR BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-11-28 US disclosed
US-20120252670-A1 PYRIDINECARBOXAMIDES, USEFUL-PLANT-PROTECTING COMPOSITION COMPRISING THEM AND PROCESSES FOR THEIR PREPARATION AND THEIR USE ZIEMER FRANK (DE) 2012-10-04 US disclosed
WO-2012110517-A1 SYNERGISTIC COMBINATIONS CONTAINING A DITHIINO-TETRACARBOXAMIDE FUNGICIDE AND A HERBICIDE, SAFENER OR PLANT GROWTH REGULATOR BAYER CROPSCIENCE AG (DE) 2012-08-23 WO disclosed
US-8198214-B2 Solid formulation BAYER CROPSCIENCE AG (DE) 2012-06-12 US disclosed
US-6235680-B1 REDUCING SIDE EFFECT OF PESTICIDE HOECHST SCHERING AGREVO GMBH (DE) 2001-05-22 US disclosed
US-5972839-A MIXTURE WITH PLANT SAFENING AGENT HOECHST SCHERING AGREVO GMBH (DE) 1999-10-26 US disclosed
US-5756422-A PLANT SAFENING AGENTS HOECHST SCHERING AGREVO GMBH (DE) 1998-05-26 US disclosed
US-5739079-A CEREAL, RICE, CORN CROP SAFENER MIXED WITH WEED HERBICIDE HOECHST AKTIENGESELLSCHAFT (DE) 1998-04-14 US disclosed
US-5733847-A Selective herbicidal compositions in the form of concentrated microemulsions HOECHST AKTIENGESELLSCHAFT (DE) 1998-03-31 US disclosed
US-5698539-A PLANT SAFENING AGENTS HOECHST AKTIENGESELLSCHAFT (DE) 1997-12-16 US disclosed
US-5536698-A Crop-protecting compositions containing isoxazolines or isothiazdines, novel isoxazolines, and their preparation HOECHST AKTIENGESELLSCHAFT (DE) 1996-07-16 US disclosed
US-5516750-A FOR PESTICIDES AND HERBICIDES IN CROP PLANTS HOECHST SCHERING AGREVO GMBH (DE) 1996-05-14 US disclosed
US-5380852-A Plant safening agents HOECHST AKTIENGESELLSCHAFT (DE) 1995-01-10 US disclosed
US-4613677-A One-step hydrogenation/esterification of benzyloxy phenoxy propanoic acid STAUFFER CHEMICAL COMPANY (US) 1986-09-23 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-20120252670-A1 PYRIDINECARBOXAMIDES, USEFUL-PLANT-PROTECTING COMPOSITION COMPRISING THEM AND PROCESSES FOR THEIR PREPARATION AND THEIR USE CYC1, CYCS, CBR3 ALPG 4014/4885PTK2B 4540/4885RXRA 819/4885
US-20150245610-A1 ACTIVE COMPOUND COMBINATIONS COMPRISING CARBOXAMIDE DERIVATIVES AADAC, PFAS, CBR3 ALPG 1105/4885PTK2B 2406/4885RXRA 3338/4885
US-20130316901-A1 SYNERGISTIC COMBINATIONS CONTAINING A DITHINO-TETRACARBOXAMIDE FUNGICIDE AND A HERBICIDE, SAFENER OR PLANT GROWTH REGULATOR DDT, ING2, DNER ALPG 1366/4885PTK2B 2065/4885RXRA 3971/4885

“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.