SCHEMBL1721040

SCHEMBL1721040

CCc1cc(Br)cc(CC)c1-c1c(O)n2n(c1=O)CCOCC2

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 5/20 0.34
▸ KMT2A Q03164 4/20 0.34
▸ HTT P42858 3/20 0.34
▸ MAPT P10636 3/20 0.34
▸ MEN1 O00255 3/20 0.34
▸ GFER P55789 1/20 0.33
▸ SMN1; SMN2 Q16637 4/20 0.33
▸ ALDH1A1 P00352 2/20 0.32
▸ TP53 P04637 1/20 0.32
▸ POLB P06746 3/20 0.32
▸ TSHR P16473 2/20 0.32
▸ HPGD P15428 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ TNNI3 P19429 1/20 0.31
▸ TNNT2 P45379 1/20 0.31
▸ TNNC1 P63316 1/20 0.31
▸ PLEC Q15149 1/20 0.31
▸ USP2 O75604 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ GAA P10253 1/20 0.31

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
SCHEMBL5078713 0.88 HSD17B10 (0.38) LMNAKMT2AHTTMAPTMEN1
SCHEMBL12658332 0.69 SPR (0.35) GFERALDH1A1TSHRHPGDKDM4E
SCHEMBL13527337 0.69 KDM4E (0.34) KMT2AMAPTMEN1SMN1; SMN2ALDH1A1
SCHEMBL24643264 0.69 MAPT (0.34) LMNAKMT2AMAPTALDH1A1TP53
SCHEMBL24213873 0.67 ALDH1A1 (0.33) LMNAKMT2AMAPTMEN1ALDH1A1
SCHEMBL1685478 0.66 KDM4E (0.39) LMNAKMT2AMAPTMEN1ALDH1A1
Pinoxaden SCHEMBL29359629 0.66 ELANE (0.33) LMNAKMT2AMAPTMEN1ALDH1A1
SCHEMBL14088267 0.66 SYK (0.33) KMT2AMEN1ALDH1A1TP53POLB
SCHEMBL12658153 0.66 ALDH1A1 (0.36) LMNAKMT2AHTTMAPTMEN1
SCHEMBL22940089 0.65 MEN1 (0.30) KMT2AMAPTMEN1ALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2406216-B1 HALOGENALKYLMETHYLENOXY-PHENYL-SUBSTITUTED KETOENOLS BAYER IP GMBH (DE) 2017-04-19 — — EP disclosed
EP-3153503-A1 INTERMEDIATES FOR HALOGENOALKYLMETHYLENOXY-PHENYL-SUBSTITUTED KETOENOLS Bayer Intellectual Property GmbH (DE) 2017-04-12 — — EP disclosed
US-9045390-B2 Haloalkylmethyleneoxyphenyl-substituted ketoenols BAYER CROPSCIENCE AG (DE) 2015-06-02 — — US disclosed
US-20140213813-A9 Haloalkylmethyleneoxyphenyl-Substituted Ketoenols BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-07-31 — — US disclosed
US-20140031577-A1 Haloalkylmethyleneoxyphenyl-Substituted Ketoenols BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-01-30 — — US disclosed
US-8518985-B2 Haloalkylmethyleneoxyphenyl-substituted ketoenols BAYER CROPSCIENCE AG (DE) 2013-08-27 — — US disclosed
EP-2406216-A2 HALOGENALKYLMETHYLENOXY-PHENYL-SUBSTITUTED KETOENOLS Bayer Cropscience AG (DE) 2012-01-18 — — EP disclosed
US-20100311593-A1 Haloalkylmethyleneoxyphenyl-substituted ketoenols BAYER CROPSCIENCE AG (DE) 2010-12-09 — — US disclosed
WO-2010102758-A2 HALOGENALKYLMETHYLENOXY-PHENYL-SUBSTITUTED KETOENOLS BAYER CROPSCIENCE AG (DE) 2010-09-16 — — 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 (3 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-20140213813-A9 Haloalkylmethyleneoxyphenyl-Substituted Ketoenols PHYKPL, KCNE1, CSNK1E LMNA 3327/4885KMT2A 885/4885HTT 3460/4885
US-20140031577-A1 Haloalkylmethyleneoxyphenyl-Substituted Ketoenols PHYKPL, KCNE1, CSNK1E LMNA 3327/4885KMT2A 885/4885HTT 3460/4885
US-20100311593-A1 Haloalkylmethyleneoxyphenyl-substituted ketoenols PHYKPL, KCNE1, CSNK1E LMNA 3327/4885KMT2A 885/4885HTT 3460/4885

“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.

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