SCHEMBL679659

SCHEMBL679659

CC1=NOC(C)(c2ccccc2)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.43
ATM Q13315 1/20 0.43
NLRP3 Q96P20 1/20 0.38
CHRNB2 P17787 1/20 0.37
SLC6A2 P23975 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA4 P43681 1/20 0.37
SLC6A3 Q01959 1/20 0.37
OPRM1 P35372 1/20 0.36
OPRK1 P41145 1/20 0.36
OPRL1 P41146 1/20 0.36
HSD11B1 P28845 2/20 0.35
RECQL P46063 1/20 0.34
SCN9A Q15858 3/20 0.34
POLB P06746 1/20 0.33
BACE1 P56817 1/20 0.33
MAPT P10636 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
LDHA P00338 1/20 0.32

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
SCHEMBL2740913 1.00 KDM4E (0.43) KDM4EATMNLRP3CHRNB2SLC6A2
SCHEMBL12595265 0.79 BACE1 (0.39) NLRP3HSD11B1RECQLSCN9APOLB
SCHEMBL13043137 0.78 KDM4E (0.41) KDM4EATMCHRNB2SLC6A2CHRNB4
SCHEMBL28665635 0.78 NLRP3 (0.55) KDM4EATMNLRP3CHRNB4CHRNA3
SCHEMBL13255296 0.77 SCN9A (0.35) ATMNLRP3HSD11B1RECQLSCN9A
SCHEMBL12217299 0.76 NLRP3 (0.64) KDM4EATMNLRP3RECQLPOLB
SCHEMBL13170184 0.74 KDM4E (0.38) KDM4EATMNLRP3CHRNB2SLC6A2
SCHEMBL12922822 0.73 NLRP3 (0.39) KDM4ENLRP3RECQLPOLBMAPT
SCHEMBL13780067 0.73 KDM4E (0.37) KDM4EATMOPRM1OPRK1OPRL1
SCHEMBL2740647 0.73 KDM4E (0.37) KDM4EATMOPRM1OPRK1OPRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021008607-A1 SUBSTITUTED 1,2,4-TRIAZOLO[4,3-A]PYRIDINE DERIVATIVE AND PREPARATION METHOD, HERBICIDAL COMPOSITION AND APPLICATION THEREOF 青岛清原化合物有限公司 2021-01-21 WO disclosed
US-20190174759-A1 FUNGICIDAL ACTIVE COMPOUND COMBINATIONS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2019-06-13 US disclosed
US-10244755-B2 Fungicidal active compound combinations BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-04-02 US disclosed
US-20180222873-A1 METHOD FOR PREPARING 3-TRIFLUOROMETHYL CHALCONES CORTEVA AGRISCIENCE LLC 2018-08-09 US disclosed
EP-2099751-B1 BIPHENYL-SUBSTITUTED SPIROCYCLIC KETOENOLS BAYER IP GMBH (DE) 2018-05-30 EP disclosed
US-9968091-B2 Selective herbicides based on substituted thien-3-yl-sulphonylamino(thio)carbonyltriazolin(thi)ones and safeners BAYER CROPSCIENCE AG (DE) 2018-05-15 US disclosed
US-9968091-B2 Selective herbicides based on substituted thien-3-yl-sulphonylamino(thio)carbonyltriazolin(thi)ones and safeners BAYER CROPSCIENCE AG (DE) 2018-05-15 US disclosed
US-9938248-B2 Method for preparing 3-trifluoromethyl chalcones E.I. DU PONT DE NEMOURS AND COMPANY (US) 2018-04-10 US disclosed
US-20180057468-A1 METHOD FOR PREPARING 3-TRIFLUOROMETHYL CHALCONES CORTEVA AGRISCIENCE LLC 2018-03-01 US disclosed
US-9834523-B2 Method for preparing 3-trifluoromethyl chalcones E.I. DU PONT DE NEMOURS AND COMPANY (US) 2017-12-05 US disclosed
US-20070129252-A1 2-Halo-6-alkylphenyl-substituted spirocyclic tetramic acid derivatives BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2007-06-07 US disclosed
US-20070129252-A1 2-Halo-6-alkylphenyl-substituted spirocyclic tetramic acid derivatives BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2007-06-07 US disclosed
WO-2007048545-A2 ALKOXYALKYL SPIROCYCLIC TETRAMIC ACIDS AND TETRONIC ACIDS BAYER CROPSCIENCE AG (DE) 2007-05-03 WO disclosed
US-20070093391-A1 4-Biphenyl-substituted pyrazolidin-3 5-diones pesticide agent and/or microbicide and/or herbicide BAYER CROPSCIENCE AG (DE) 2007-04-26 US disclosed
US-20070093391-A1 4-Biphenyl-substituted pyrazolidin-3 5-diones pesticide agent and/or microbicide and/or herbicide BAYER CROPSCIENCE AG (DE) 2007-04-26 US disclosed
US-20070066488-A1 Hetaryl-substituted pyrazolidindione derivatives with pesticidal characteristics BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2007-03-22 US disclosed
US-20070066488-A1 Hetaryl-substituted pyrazolidindione derivatives with pesticidal characteristics BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2007-03-22 US disclosed
US-20070015664-A1 2,4,6-Phenyl substituted cyclic ketoenols BAYER CROPSCIENCE AG (DE) 2007-01-18 US disclosed
US-20070015664-A1 2,4,6-Phenyl substituted cyclic ketoenols BAYER CROPSCIENCE AG (DE) 2007-01-18 US disclosed
EP-1429613-B1 SELECTIVE HERBICIDES BASED ON SUBSTITUTED THIEN-3-YL-SULFONYLAMINO(THIO)CARBONYL-TRIAZOLIN(THI)ONES AND SAFENERS BAYER CROPSCIENCE AG (DE) 2007-01-17 EP 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 (8 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-20190174759-A1 FUNGICIDAL ACTIVE COMPOUND COMBINATIONS DDT, CYP4X1, CYP51A1 KDM4E 2075/4885ATM 4183/4885NLRP3 360/4885
US-20070015664-A1 2,4,6-Phenyl substituted cyclic ketoenols CYP4X1, KDM4E, KCNE1 KDM4E 2/4885ATM 3514/4885NLRP3 3459/4885
US-20070066488-A1 Hetaryl-substituted pyrazolidindione derivatives with pesticidal characteristics DDT, CYP1A2, HPD KDM4E 2418/4885ATM 4719/4885NLRP3 1457/4885
US-20070093391-A1 4-Biphenyl-substituted pyrazolidin-3 5-diones pesticide agent and/or microbicide and/or herbicide DDT, CYP4X1, HPD KDM4E 402/4885ATM 4342/4885NLRP3 112/4885
US-10244755-B2 Fungicidal active compound combinations DDT, CYP4X1, CYP51A1 KDM4E 2075/4885ATM 4183/4885NLRP3 360/4885
US-20180057468-A1 METHOD FOR PREPARING 3-TRIFLUOROMETHYL CHALCONES NR3C2, CYP4A11, RAE1 KDM4E 313/4885ATM 2932/4885NLRP3 4501/4885
US-20070129252-A1 2-Halo-6-alkylphenyl-substituted spirocyclic tetramic acid derivatives TBCA, CA6, TRIP13 KDM4E 4013/4885ATM 3126/4885NLRP3 4465/4885
US-20180222873-A1 METHOD FOR PREPARING 3-TRIFLUOROMETHYL CHALCONES NR3C2, CYP4A11, RAE1 KDM4E 313/4885ATM 2932/4885NLRP3 4501/4885

“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.