SCHEMBL680128

SCHEMBL680128

Cc1cc(-c2ccccc2F)n(C)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.41
PDE4B Q07343 1/20 0.41
KIF11 P52732 1/20 0.41
MBNL1 Q9NR56 1/20 0.39
TDP1 Q9NUW8 2/20 0.39
RECQL P46063 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
EGLN2 Q96KS0 1/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 2/20 0.38
HTT P42858 2/20 0.38
MEN1 O00255 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38
STIM1 Q13586 1/20 0.37
ORAI1 Q96D31 1/20 0.37
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35

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
SCHEMBL3491456 0.86 HSD11B1 (0.42) HSD11B1PDE4BKIF11NPC1RAB9A
SCHEMBL14464275 0.81 RAB9A (0.41) NPC1RAB9AALDH1A1KDM4EHTT
SCHEMBL3488246 0.81 KDM4E (0.43) PDE4BKDM4EHTT
SCHEMBL175252 0.81 KDM4E (0.47) HSD11B1PDE4BKDM4EHTT
SCHEMBL175211 0.80 PDE4B (0.40) PDE4BKIF11NPC1RAB9AALDH1A1
SCHEMBL680116 0.79 HSD11B1 (0.50) HSD11B1PDE4BNPC1RAB9AEGLN2
SCHEMBL27561789 0.78 GAA (0.49) HSD11B1PDE4BKIF11TDP1RECQL
SCHEMBL26530975 0.75 NUDT1 (0.45) NPC1RAB9AALDH1A1KDM4EHTT
SCHEMBL14537865 0.75 NPC1 (0.36) NPC1RAB9AALDH1A1KDM4EHTT
SCHEMBL16487535 0.73 SMN1; SMN2 (0.42) NPC1RAB9AALDH1A1KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-2099751-B1 BIPHENYL-SUBSTITUTED SPIROCYCLIC KETOENOLS BAYER IP GMBH (DE) 2018-05-30 EP disclosed
US-20160073635-A1 SELECTIVE HERBICIDES BASED ON SUBSTITUTED THIEN-3-YL-SULPHONYLAMINO(THIO)CARBONYLTRIAZOLIN(THI)ONES AND SAFENERS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-03-17 US disclosed
US-20160073635-A1 SELECTIVE HERBICIDES BASED ON SUBSTITUTED THIEN-3-YL-SULPHONYLAMINO(THIO)CARBONYLTRIAZOLIN(THI)ONES AND SAFENERS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-03-17 US disclosed
US-9259003-B2 Insecticides based on neonicotinoids and safeners BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-02-16 US disclosed
US-9259003-B2 Insecticides based on neonicotinoids and safeners BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-02-16 US disclosed
US-20160000076-A1 Fungicidal Active Compound Combinations BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-01-07 US disclosed
US-20160000076-A1 Fungicidal Active Compound Combinations BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-01-07 US disclosed
US-9155312-B2 Fungicidal combinations of active ingredients BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-10-13 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 HSD11B1 312/4885PDE4B 857/4885KIF11 3148/4885
US-20070015664-A1 2,4,6-Phenyl substituted cyclic ketoenols CYP4X1, KDM4E, KCNE1 HSD11B1 976/4885PDE4B 470/4885KIF11 1279/4885
US-20070066488-A1 Hetaryl-substituted pyrazolidindione derivatives with pesticidal characteristics DDT, CYP1A2, HPD HSD11B1 183/4885PDE4B 371/4885KIF11 4391/4885
US-20070093391-A1 4-Biphenyl-substituted pyrazolidin-3 5-diones pesticide agent and/or microbicide and/or herbicide DDT, CYP4X1, HPD HSD11B1 2171/4885PDE4B 317/4885KIF11 3369/4885
US-10244755-B2 Fungicidal active compound combinations DDT, CYP4X1, CYP51A1 HSD11B1 312/4885PDE4B 857/4885KIF11 3148/4885
US-20070129252-A1 2-Halo-6-alkylphenyl-substituted spirocyclic tetramic acid derivatives TBCA, CA6, TRIP13 HSD11B1 834/4885PDE4B 3111/4885KIF11 695/4885
US-20160073635-A1 SELECTIVE HERBICIDES BASED ON SUBSTITUTED THIEN-3-YL-SULPHONYLAMINO(THIO)CARBONYLTRIAZOLIN(THI)ONES AND SAFENERS TARS2, TST, TARS1 HSD11B1 3180/4885PDE4B 4174/4885KIF11 1709/4885
US-20160000076-A1 Fungicidal Active Compound Combinations DDT, CYP4X1, CYP51A1 HSD11B1 312/4885PDE4B 857/4885KIF11 3148/4885

“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.