SCHEMBL2363015

SCHEMBL2363015

O=C1C(c2cc(-c3ccc(Cl)cc3)ccc2Cl)C(=O)N2CCCCN12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
TSHR P16473 2/20 0.38
ALOX15 P16050 1/20 0.38
KMT2A Q03164 2/20 0.35
BRD4 O60885 2/20 0.34
BRD2 P25440 2/20 0.34
BRD3 Q15059 2/20 0.34
JAK2 O60674 1/20 0.34
NTRK1 P04629 1/20 0.34
MET P08581 1/20 0.34
FGFR1 P11362 1/20 0.34
PRKACA P17612 1/20 0.34
KDR P35968 1/20 0.34
MAP2K2 P36507 1/20 0.34
FLT3 P36888 1/20 0.34
GSK3B P49841 1/20 0.34
MAP2K1 Q02750 1/20 0.34
MST1R Q04912 1/20 0.34
NTRK3 Q16288 1/20 0.34

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
SCHEMBL6113846 0.87 PGR (0.42) BRD4TDP2MAPT
SCHEMBL11989372 0.87 PRKDC (0.41) ALDH1A1KMT2ACNR2TP53MEN1
SCHEMBL6113569 0.86 CNR2 (0.35) ALDH1A1KMT2ABRD4BRD2BRD3
SCHEMBL2361880 0.80 KDM4E (0.37) ALDH1A1L3MBTL1KMT2ABRD4BRD2
SCHEMBL6113695 0.80 PGR (0.34) ALDH1A1L3MBTL1KMT2ABRD4BRD2
SCHEMBL8950429 0.78 ALDH1A1 (0.46) ALDH1A1L3MBTL1TSHRALOX15KMT2A
SCHEMBL6113843 0.77 CNR2 (0.46) ALDH1A1L3MBTL1TSHRALOX15KMT2A
SCHEMBL2363413 0.77 JAK2 (0.35) ALDH1A1TSHRALOX15BRD4BRD2
SCHEMBL6113773 0.75 KDM4E (0.41) KMT2AJAK2CNR1CNR2HTT
SCHEMBL8950295 0.74 CHRNA7 (0.45) ALDH1A1TSHRTP53MAPT

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120129833-A1 CYCLIC KETOENOLS FOR THERAPY BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-05-24 US claimed
US-20130040935-A1 CYCLIC KETO-ENOLS FOR THERAPY BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-02-14 US disclosed
US-20130040935-A1 CYCLIC KETO-ENOLS FOR THERAPY BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-02-14 US disclosed
US-20130040935-A1 CYCLIC KETO-ENOLS FOR THERAPY BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-02-14 US disclosed
EP-2536686-A1 CYCLIC KETO-ENOLS FOR THERAPY Bayer Intellectual Property GmbH (DE) 2012-12-26 EP disclosed
US-8247351-B2 Insecticidal compositions having improved effect BAYER CROPSCIENCE AG (DE) 2012-08-21 US disclosed
US-8247351-B2 Insecticidal compositions having improved effect BAYER CROPSCIENCE AG (DE) 2012-08-21 US disclosed
US-20120129833-A1 CYCLIC KETOENOLS FOR THERAPY BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-05-24 US disclosed
US-20120129833-A1 CYCLIC KETOENOLS FOR THERAPY BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-05-24 US disclosed
US-20120129833-A1 CYCLIC KETOENOLS FOR THERAPY BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-05-24 US disclosed
US-20110294783-A1 Insecticidal Compositions Having Improved Effect BAYER CROPSCIENCE AG (DE) 2011-12-01 US disclosed
US-20110294783-A1 Insecticidal Compositions Having Improved Effect BAYER CROPSCIENCE AG (DE) 2011-12-01 US disclosed
WO-2011098433-A1 CYCLIC KETO-ENOLS FOR THERAPY BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-08-18 WO disclosed
WO-2011098433-A1 CYCLIC KETO-ENOLS FOR THERAPY BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-08-18 WO disclosed
US-20090209513-A1 Insecticidal Compositions Having Improved Effect BAYER CROPSCIENCE AG (DE) 2009-08-20 US disclosed
US-20090209513-A1 Insecticidal Compositions Having Improved Effect BAYER CROPSCIENCE AG (DE) 2009-08-20 US disclosed
WO-2007068428-A2 INSECTICIDAL COMPOSITIONS CONTAINING PHENYL-SUBSTITUTED CYCLIC KETOENOLS BAYER CROPSCIENCE AG (DE) 2007-06-21 WO 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 (4 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-20130040935-A1 CYCLIC KETO-ENOLS FOR THERAPY AKR1B1, AKR1C3, AKR1A1 ALDH1A1 723/4885L3MBTL1 1090/4885TSHR 2751/4885
US-20110294783-A1 Insecticidal Compositions Having Improved Effect FASN, CYP51A1, PIKFYVE ALDH1A1 4489/4885L3MBTL1 3929/4885TSHR 4115/4885
US-20120129833-A1 CYCLIC KETOENOLS FOR THERAPY CYP46A1, LIPC, CYP27A1 ALDH1A1 766/4885L3MBTL1 1476/4885TSHR 1972/4885
US-20090209513-A1 Insecticidal Compositions Having Improved Effect PTEN, PIK3CG, PIK3CD ALDH1A1 4708/4885L3MBTL1 4135/4885TSHR 4566/4885

“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.