SCHEMBL343449

SCHEMBL343449

CCCCc1c(OC(C)C)oc2ccc(I)cc2c1=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.35
ALDH1A1 P00352 3/20 0.35
HPGD P15428 3/20 0.35
MEN1 O00255 1/20 0.35
TP53 P04637 1/20 0.35
CYP2C9 P11712 1/20 0.35
PTGER1 P34995 1/20 0.35
PTGER3 P43115 1/20 0.35
PTGER2 P43116 1/20 0.35
KMT2A Q03164 1/20 0.35
PTGDR Q13258 1/20 0.35
HSD17B10 Q99714 1/20 0.35
APP P05067 1/20 0.34
ADORA3 P0DMS8 2/20 0.34
LTB4R Q15722 2/20 0.34
EYA3 Q99504 1/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
KDM4A O75164 2/20 0.33
KDM5A P29375 2/20 0.33

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
SCHEMBL13243729 0.93 ALDH1A1 (0.36) KDM4EALDH1A1HPGDMEN1TP53
SCHEMBL19908196 0.88 ADORA3 (0.42) KDM4EALDH1A1HPGDMEN1TP53
SCHEMBL3657351 0.85 LTB4R (0.37) KDM4EALDH1A1HPGDHSD17B10APP
SCHEMBL13038104 0.85 ALDH1A1 (0.39) KDM4EALDH1A1HPGDMEN1TP53
SCHEMBL343890 0.82 APP (0.34) KDM4EALDH1A1HPGDMEN1TP53
SCHEMBL29451185 0.81 APP (0.39) KDM4EALDH1A1HPGDHSD17B10APP
SCHEMBL69420 0.81 APP (0.39) KDM4EALDH1A1HPGDHSD17B10APP
SCHEMBL483576 0.81 LTB4R (0.41) KDM4EALDH1A1HPGDHSD17B10APP
SCHEMBL6029914 0.79 APP (0.43) KDM4EALDH1A1HPGDMEN1CYP2C9
SCHEMBL343039 0.78 KDM4E (0.37) KDM4EALDH1A1HPGDTP53CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160150785-A1 Synergistic Fungicidal Active Substance Combinations BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-06-02 US claimed
WO-2014170354-A1 INSECTICIDAL AND/OR FUNGICIDAL SYNERGISTIC COMBINATIONS OF PHTHALDIAMIDE DERIVATIVES AND A FURTHER ACTIVE INGREDIENT BAYER CROPSCIENCE AG (DE) 2014-10-23 WO claimed
US-20140213557-A1 Active Compound Combinations BAYER CROPSCIENCE AG (DE) 2014-07-31 US claimed
US-20130196981-A1 Synergistic Fungicidal Active Substance Combinations BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-08-01 US claimed
EP-2453750-A2 SYNERGISTIC ACTIVE SUBSTANCE COMBINATIONS CONTAINING PHENYL TRIAZOLES Bayer CropScience AG (DE) 2012-05-23 EP claimed
US-20120015910-A1 Synergistic fungicidal active substance combinations BAYER CROPSCIENCE AG (DE) 2012-01-19 US claimed
US-20110166109-A1 Synergistic Active Compound Combinations Comprising Phenyltriazoles BAYER CROPSCIENCE AG (DE) 2011-07-07 US claimed
US-20110152097-A1 Active Compound Combinations BAYER CROPSCIENCE AG (DE) 2011-06-23 US claimed
WO-2011006603-A2 SYNERGISTIC ACTIVE SUBSTANCE COMBINATIONS CONTAINING PHENYL TRIAZOLES BAYER CROPSCIENCE AG (DE) 2011-01-20 WO claimed
US-20100273648-A1 Synergistic Fungicidal Active Substance Combinations BAYER CROPSCIENCE AG (DE) 2010-10-28 US claimed
WO-2007104437-A1 FUNGICIDAL ACTIVE INGREDIENT COMBINATIONS BAYER CROPSCIENCE AG (DE) 2007-09-20 WO claimed
WO-2007101547-A2 SYNERGISTIC COMBINATIONS OF ACTIVE INGREDIENTS BAYER CROPSCIENCE AG (DE) 2007-09-13 WO claimed
US-20070060579-A1 Synergistic fungicidal active substance combinations BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2007-03-15 US claimed
WO-2006131230-A2 ACTIVE SUBSTANCE COMBINATIONS BAYER CROPSCIENCE AG (DE) 2006-12-14 WO claimed
WO-2006131246-A1 FUNGICIDAL ACTIVE SUBSTANCE COMBINATIONS BAYER CROPSCIENCE AG (DE) 2006-12-14 WO claimed
WO-2006105888-A2 SYNERGISTIC FUNGICIDAL ACTIVE SUBSTANCE COMBINATIONS BAYER CROPSCIENCE AG (DE) 2006-10-12 WO claimed
EP-1675461-A1 SYNERGISTIC FUNGICIDAL ACTIVE SUBSTANCE COMBINATIONS Bayer CropScience AG (DE) 2006-07-05 EP claimed
WO-2005058036-A1 FUNGICIDE COMPOSITION COMPRISING AT LEAST ONE FUNGICIDAL IODOCHROMONE DERIVATIVE AND AT LEAST ONE FUNGICIDAL PYRIMIDINE DERIVATIVE BAYER CROPSCIENCE SA (FR) 2005-06-30 WO claimed
EP-1543723-A1 Fungicide composition comprising at least one fungicidal iodochromone derivative and at least one fungicidal pyrimidine derivative Bayer CropScience S.A. (FR) 2005-06-22 EP claimed
WO-2005034628-A1 SYNERGISTIC FUNGICIDAL ACTIVE SUBSTANCE COMBINATIONS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2005-04-21 WO claimed

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-20110152097-A1 Active Compound Combinations AGXT, GLUL, GMNN KDM4E 2720/4885ALDH1A1 4519/4885HPGD 4655/4885
US-20100273648-A1 Synergistic Fungicidal Active Substance Combinations GLRA1, GRM1, CYP1A2 KDM4E 3437/4885ALDH1A1 219/4885HPGD 2642/4885
US-20160150785-A1 Synergistic Fungicidal Active Substance Combinations CYP1A2, CAT, CYP51A1 KDM4E 3451/4885ALDH1A1 148/4885HPGD 3574/4885
US-20140213557-A1 Active Compound Combinations AGXT, GLUL, GMNN KDM4E 2720/4885ALDH1A1 4519/4885HPGD 4655/4885
US-20110166109-A1 Synergistic Active Compound Combinations Comprising Phenyltriazoles NAT1, ACAT1, CAT KDM4E 3338/4885ALDH1A1 972/4885HPGD 4493/4885
US-20070060579-A1 Synergistic fungicidal active substance combinations CYP51A1, CYP1A2, CYP4X1 KDM4E 3408/4885ALDH1A1 106/4885HPGD 3583/4885
US-20120015910-A1 Synergistic fungicidal active substance combinations CYP51A1, CYP1A2, CYP4X1 KDM4E 3408/4885ALDH1A1 106/4885HPGD 3583/4885
US-20130196981-A1 Synergistic Fungicidal Active Substance Combinations CYP51A1, CYP1A2, CYP4X1 KDM4E 3408/4885ALDH1A1 106/4885HPGD 3583/4885

“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.