SCHEMBL680116

SCHEMBL680116

Cc1cc(-c2ccccc2Cl)n(C)n1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 8/20 0.50
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 4/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HTT P42858 2/20 0.47
HSD17B10 Q99714 2/20 0.47
GAA P10253 1/20 0.47
PKM P14618 1/20 0.47
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
HPGD P15428 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
LMNA P02545 1/20 0.42
PDE4B Q07343 1/20 0.41
POLB P06746 2/20 0.39
PLA2G7 Q13093 1/20 0.39
TP53 P04637 1/20 0.38
EGLN2 Q96KS0 1/20 0.38

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
SCHEMBL27564983 0.84 HSD11B1 (0.39) HSD11B1ALDH1A1KDM4ESMN1; SMN2HTT
SCHEMBL14464275 0.81 RAB9A (0.41) ALDH1A1KDM4ESMN1; SMN2HTTHSD17B10
SCHEMBL16202037 0.81 NPC1 (0.56) HSD11B1ALDH1A1KMT2AHPGDNPC1
SCHEMBL27705414 0.81 NPC1 (0.42) HSD11B1ALDH1A1KDM4ESMN1; SMN2HTT
SCHEMBL8486970 0.81 HSD11B1 (0.44) HSD11B1ALDH1A1KDM4ESMN1; SMN2HSD17B10
SCHEMBL21667991 0.79 HSD11B1 (0.43) HSD11B1ALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL680128 0.79 HSD11B1 (0.41) HSD11B1ALDH1A1KDM4EHTTHSD17B10
SCHEMBL12002409 0.78 NPC1 (0.63) ALDH1A1KDM4ESMN1; SMN2HSD17B10GAA
SCHEMBL28103411 0.78 HSD11B1 (0.50) HSD11B1KDM4EHTTNPC1
SCHEMBL14622588 0.77 PTGS2 (0.54) HSD11B1ALDH1A1KDM4EKMT2ANPC1

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 210 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-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-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
WO-2007080066-A2 2,4,6-TRIALKYLPHENYL SUBSTITUTED CYCLOPENTANE-1,3-DIONE BAYER CROPSCIENCE AG (DE) 2007-07-19 WO 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
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 312/4885ALDH1A1 516/4885KDM4E 2075/4885
US-20070015664-A1 2,4,6-Phenyl substituted cyclic ketoenols CYP4X1, KDM4E, KCNE1 HSD11B1 976/4885ALDH1A1 2306/4885KDM4E 2/4885
US-20070066488-A1 Hetaryl-substituted pyrazolidindione derivatives with pesticidal characteristics DDT, CYP1A2, HPD HSD11B1 183/4885ALDH1A1 769/4885KDM4E 2418/4885
US-20070093391-A1 4-Biphenyl-substituted pyrazolidin-3 5-diones pesticide agent and/or microbicide and/or herbicide DDT, CYP4X1, HPD HSD11B1 2171/4885ALDH1A1 1001/4885KDM4E 402/4885
US-10244755-B2 Fungicidal active compound combinations DDT, CYP4X1, CYP51A1 HSD11B1 312/4885ALDH1A1 516/4885KDM4E 2075/4885
US-20070129252-A1 2-Halo-6-alkylphenyl-substituted spirocyclic tetramic acid derivatives TBCA, CA6, TRIP13 HSD11B1 834/4885ALDH1A1 2108/4885KDM4E 4013/4885
US-20160073635-A1 SELECTIVE HERBICIDES BASED ON SUBSTITUTED THIEN-3-YL-SULPHONYLAMINO(THIO)CARBONYLTRIAZOLIN(THI)ONES AND SAFENERS TARS2, TST, TARS1 HSD11B1 3180/4885ALDH1A1 548/4885KDM4E 2732/4885
US-20160000076-A1 Fungicidal Active Compound Combinations DDT, CYP4X1, CYP51A1 HSD11B1 312/4885ALDH1A1 516/4885KDM4E 2075/4885

“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.