SCHEMBL344549

SCHEMBL344549

CC#CCOc1oc2ccc(I)cc2c(=O)c1CCC

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 4/20 0.33
LTB4R Q15722 2/20 0.33
CYP2C9 P11712 2/20 0.30
KDM4E B2RXH2 2/20 0.30
NPC1 O15118 2/20 0.30
ALDH1A1 P00352 2/20 0.30
HPGD P15428 2/20 0.30
RAB9A P51151 2/20 0.30
HSD17B10 Q99714 1/20 0.30
HCAR2 Q8TDS4 1/20 0.30
MAPT P10636 1/20 0.30
CASP3 P42574 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
SENP8 Q96LD8 1/20 0.30
SENP7 Q9BQF6 1/20 0.30
SENP6 Q9GZR1 1/20 0.30
HSD17B3 P37058 1/20 0.30
PIM1 P11309 1/20 0.30
CSNK2A2 P19784 1/20 0.30
CSNK2B P67870 1/20 0.30

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
SCHEMBL19908194 0.87 MAPT (0.40) LTB4RKDM4ENPC1ALDH1A1HPGD
SCHEMBL343039 0.86 KDM4E (0.37) APPLTB4RCYP2C9KDM4ENPC1
SCHEMBL344030 0.86 CYP2A6 (0.37) APPLTB4RCYP2C9KDM4ENPC1
SCHEMBL69420 0.84 APP (0.39) APPLTB4RKDM4ENPC1ALDH1A1
SCHEMBL29451185 0.84 APP (0.39) APPLTB4RKDM4ENPC1ALDH1A1
SCHEMBL483576 0.83 LTB4R (0.41) APPLTB4RKDM4ENPC1ALDH1A1
SCHEMBL6029914 0.82 APP (0.43) APPCYP2C9KDM4ENPC1ALDH1A1
SCHEMBL6030100 0.81 GABRA1 (0.34) APPLTB4RCYP2C9KDM4ENPC1
SCHEMBL747965 0.80 APP (0.33) APPLTB4RCYP2C9KDM4ENPC1
SCHEMBL3668855 0.80 APP (0.33) APPLTB4RCYP2C9KDM4ENPC1

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 167 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
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
US-20100273648-A1 Synergistic Fungicidal Active Substance Combinations BAYER CROPSCIENCE AG (DE) 2010-10-28 US claimed
US-20100190645-A1 SYNERGISTIC FUNGICIDAL ACTIVE COMPOUND COMBINATIONS COMPRISING FORMONONETIN PLANT HEALTH CARE, INC. 2010-07-29 US claimed
US-20100105670-A1 FUNGICIDAL MIXTURES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2010-04-29 US claimed
EP-2124557-A2 SYNERGISTIC FUNGICIDAL COMBINATIONS COMPRISING FORMONONETIN Bayer CropScience AG (DE) 2009-12-02 EP claimed
US-20090280981-A1 SYNERGISTIC ACTIVE INGREDIENT COMBINATIONS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2009-11-12 US claimed
EP-2086319-A1 FUNGICIDAL MIXTURES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2009-08-12 EP claimed
WO-2009012907-A1 SYNERGISTIC FUNGICIDAL ACTIVE GENISTEIN COMBINATIONS BAYER CROPSCIENCE AG (DE) 2009-01-29 WO claimed
US-20090018015-A1 Synergistic Fungicidal Active Combinations BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2009-01-15 US claimed
WO-2008092580-A2 SYNERGISTIC FUNGICIDAL COMBINATIONS COMPRISING FORMONONETIN BAYER CROPSCIENCE AG (DE) 2008-08-07 WO claimed
WO-2008060611-A1 FUNGICIDAL MIXTURES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2008-05-22 WO claimed
US-20070060579-A1 Synergistic fungicidal active substance combinations BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2007-03-15 US 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (12 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 APP 2561/4885LTB4R 4555/4885CYP2C9 1524/4885
US-20100273648-A1 Synergistic Fungicidal Active Substance Combinations GLRA1, GRM1, CYP1A2 APP 4357/4885LTB4R 2457/4885CYP2C9 88/4885
US-20090018015-A1 Synergistic Fungicidal Active Combinations CYP51A1, CYP1A2, CYP3A7 APP 4725/4885LTB4R 3136/4885CYP2C9 10/4885
US-20100105670-A1 FUNGICIDAL MIXTURES DEGS1, GMDS, Q6ZSR9 APP 4627/4885LTB4R 1199/4885CYP2C9 48/4885
US-20160150785-A1 Synergistic Fungicidal Active Substance Combinations CYP1A2, CAT, CYP51A1 APP 4608/4885LTB4R 2771/4885CYP2C9 34/4885
US-20140213557-A1 Active Compound Combinations AGXT, GLUL, GMNN APP 2561/4885LTB4R 4555/4885CYP2C9 1524/4885
US-20110166109-A1 Synergistic Active Compound Combinations Comprising Phenyltriazoles NAT1, ACAT1, CAT APP 790/4885LTB4R 4194/4885CYP2C9 1522/4885
US-20070060579-A1 Synergistic fungicidal active substance combinations CYP51A1, CYP1A2, CYP4X1 APP 4483/4885LTB4R 2209/4885CYP2C9 61/4885
US-20120015910-A1 Synergistic fungicidal active substance combinations CYP51A1, CYP1A2, CYP4X1 APP 4483/4885LTB4R 2209/4885CYP2C9 61/4885
US-20100190645-A1 SYNERGISTIC FUNGICIDAL ACTIVE COMPOUND COMBINATIONS COMPRISING FORMONONETIN CYP51A1, ERG28, CYP3A7 APP 3951/4885LTB4R 4140/4885CYP2C9 82/4885
US-20130196981-A1 Synergistic Fungicidal Active Substance Combinations CYP51A1, CYP1A2, CYP4X1 APP 4483/4885LTB4R 2209/4885CYP2C9 61/4885
US-20090280981-A1 SYNERGISTIC ACTIVE INGREDIENT COMBINATIONS CYP51A1, ERG28, CYP4X1 APP 875/4885LTB4R 3954/4885CYP2C9 54/4885

“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.