SCHEMBL600131

SCHEMBL600131

CC(C)C(Oc1ccc(Cl)c2cccnc12)(C(=O)O)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.59
ALOX12 P18054 3/20 0.59
TDP1 Q9NUW8 2/20 0.59
CYP3A4 P08684 1/20 0.59
GAA P10253 2/20 0.55
PKM P14618 1/20 0.53
NPSR1 Q6W5P4 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
HTT P42858 1/20 0.50
MAPT P10636 6/20 0.49
L3MBTL1 Q9Y468 5/20 0.49
HSP90AA1 P07900 3/20 0.49
CCR6 P51684 2/20 0.49
ALDH1A1 P00352 3/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
HSD17B10 Q99714 2/20 0.48
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
TP53 P04637 1/20 0.46

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
SCHEMBL30027465 1.00 KDM4E (0.59) KDM4EALOX12TDP1CYP3A4GAA
SCHEMBL692544 0.79 KDM4E (0.49) KDM4EALOX12TDP1CYP3A4GAA
SCHEMBL571602 0.78 KDM4E (0.63) KDM4EALOX12TDP1CYP3A4GAA
SCHEMBL6268556 0.78 KDM4E (0.55) KDM4EALOX12TDP1CYP3A4GAA
SCHEMBL691962 0.76 KDM4E (0.54) KDM4EALOX12TDP1CYP3A4GAA
SCHEMBL28990432 0.76 PKM (0.55) KDM4EALOX12TDP1CYP3A4GAA
SCHEMBL30385711 0.76 PKM (0.55) KDM4EALOX12TDP1CYP3A4GAA
SCHEMBL29155525 0.76 KDM4E (0.54) KDM4EALOX12TDP1CYP3A4GAA
SCHEMBL571737 0.75 KDM4E (0.56) KDM4EALOX12TDP1CYP3A4GAA
SCHEMBL168947 0.75 KDM4E (0.62) KDM4EALOX12TDP1CYP3A4GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120101287-A1 Amino-1,3,5-triazines N-substituted with chiral bicyclic radicals, process for their preparation, compositions thereof, and their use as herbicides and plant growth regulators BAYER CROPSCIENCE AG (DE) 2012-04-26 US disclosed
US-8114991-B2 Used for the control of a range of harmful weeds BAYER CROPSCIENCE AG (DE) 2012-02-14 US disclosed
US-20110152082-A1 LIQUID FORMULATIONS BAYER CROPSCIENCE AG (DE) 2011-06-23 US disclosed
EP-2305655-A2 Amino-1,3,5-triazines N-substituted with chiral bicyclic radicals, process for their preparation, compositions thereof, and their use as herbicides and plant growth regulators. Bayer CropScience AG (DE) 2011-04-06 EP disclosed
US-20070021303-A1 Safening method BAYER CROPSCIENCE AG (DE) 2007-01-25 US disclosed
US-20050070437-A1 Herbicide combinations comprising specific sulfonamides BAYER CROPSCIENCE GMBH (DE) 2005-03-31 US disclosed
US-20040157739-A1 Amino-1,3,5-triazines N-substituted with chiral bicyclic radicals, process for their preparation, compositions thereof, and their use as herbicides and plant growth regulators BAYER CROPSCIENCE AG (DE) 2004-08-12 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 (5 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-20050070437-A1 Herbicide combinations comprising specific sulfonamides DDT, B2M, MTX2 KDM4E 4686/4885ALOX12 580/4885TDP1 4498/4885
US-20070021303-A1 Safening method BCL2, BCL2L11, CYP51A1 KDM4E 3362/4885ALOX12 169/4885TDP1 1593/4885
US-20040157739-A1 Amino-1,3,5-triazines N-substituted with chiral bicyclic radicals, process for their preparation, compositions thereof, and their use as herbicides and plant growth regulators CYP4Z1, IL4I1, BCAT1 KDM4E 743/4885ALOX12 2707/4885TDP1 2791/4885
US-20120101287-A1 Amino-1,3,5-triazines N-substituted with chiral bicyclic radicals, process for their preparation, compositions thereof, and their use as herbicides and plant growth regulators IL4I1, DAO, CYP4Z1 KDM4E 591/4885ALOX12 2916/4885TDP1 2891/4885
US-20110152082-A1 LIQUID FORMULATIONS CBX3, CBX6, IPO11 KDM4E 273/4885ALOX12 3315/4885TDP1 2222/4885

“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.