SCHEMBL343890

SCHEMBL343890

CCCc1c(OC(C)CCC)oc2ccc(I)cc2c1=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 4/20 0.34
CYP2C9 P11712 3/20 0.31
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.31
HPGD P15428 2/20 0.31
NPC1 O15118 1/20 0.31
MAPT P10636 1/20 0.31
CASP3 P42574 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
SENP8 Q96LD8 1/20 0.31
SENP7 Q9BQF6 1/20 0.31
SENP6 Q9GZR1 1/20 0.31
HSD17B3 P37058 1/20 0.30
MEN1 O00255 1/20 0.30
TP53 P04637 1/20 0.30
PTGER1 P34995 1/20 0.30
PTGER3 P43115 1/20 0.30
PTGER2 P43116 1/20 0.30
KMT2A Q03164 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
SCHEMBL13243729 0.89 ALDH1A1 (0.36) APPCYP2C9KDM4EALDH1A1HPGD
SCHEMBL19908129 0.87 MAPT (0.38) KDM4EALDH1A1HPGDNPC1MAPT
SCHEMBL6029914 0.83 APP (0.43) APPCYP2C9KDM4EALDH1A1HPGD
SCHEMBL343449 0.82 KDM4E (0.35) APPCYP2C9KDM4EALDH1A1HPGD
SCHEMBL343039 0.82 KDM4E (0.37) APPCYP2C9KDM4EALDH1A1HPGD
SCHEMBL344030 0.82 CYP2A6 (0.37) APPCYP2C9KDM4EALDH1A1HPGD
SCHEMBL29451185 0.81 APP (0.39) APPKDM4EALDH1A1HPGDNPC1
SCHEMBL69420 0.81 APP (0.39) APPKDM4EALDH1A1HPGDNPC1
SCHEMBL483576 0.80 LTB4R (0.41) APPKDM4EALDH1A1HPGDNPC1
SCHEMBL6579574 0.79

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 308 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-2023724-B8 SYNERGISTIC ACTIVE INGREDIENT COMBINATIONS BAYER CROPSCIENCE AG (DE) 2012-06-06 EP 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
US-20100273648-A1 Synergistic Fungicidal Active Substance Combinations BAYER CROPSCIENCE AG (DE) 2010-10-28 US claimed
JP-2007509088-A 2007-04-12 JP 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-1677598-A2 SYNERGISTIC FUNGICIDAL ACTIVE COMBINATIONS Bayer CropScience Aktiengesellschaft (DE) 2006-07-12 EP 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
WO-2005041653-A2 SYNERGISTIC FUNGICIDAL ACTIVE COMBINATIONS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2005-05-12 WO 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 APP 2561/4885CYP2C9 1524/4885KDM4E 2720/4885
US-20100273648-A1 Synergistic Fungicidal Active Substance Combinations GLRA1, GRM1, CYP1A2 APP 4357/4885CYP2C9 88/4885KDM4E 3437/4885
US-20160150785-A1 Synergistic Fungicidal Active Substance Combinations CYP1A2, CAT, CYP51A1 APP 4608/4885CYP2C9 34/4885KDM4E 3451/4885
US-20140213557-A1 Active Compound Combinations AGXT, GLUL, GMNN APP 2561/4885CYP2C9 1524/4885KDM4E 2720/4885
US-20110166109-A1 Synergistic Active Compound Combinations Comprising Phenyltriazoles NAT1, ACAT1, CAT APP 790/4885CYP2C9 1522/4885KDM4E 3338/4885
US-20070060579-A1 Synergistic fungicidal active substance combinations CYP51A1, CYP1A2, CYP4X1 APP 4483/4885CYP2C9 61/4885KDM4E 3408/4885
US-20120015910-A1 Synergistic fungicidal active substance combinations CYP51A1, CYP1A2, CYP4X1 APP 4483/4885CYP2C9 61/4885KDM4E 3408/4885
US-20130196981-A1 Synergistic Fungicidal Active Substance Combinations CYP51A1, CYP1A2, CYP4X1 APP 4483/4885CYP2C9 61/4885KDM4E 3408/4885

“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.