SCHEMBL344030

SCHEMBL344030

CCCOc1oc2ccc(I)cc2c(=O)c1CCC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.37
APP P05067 4/20 0.37
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA6 P23280 1/20 0.35
CA5A P35218 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
CA5B Q9Y2D0 1/20 0.35
LTB4R Q15722 2/20 0.34
KDM4E B2RXH2 4/20 0.34
ALDH1A1 P00352 4/20 0.34
HPGD P15428 4/20 0.34
MAPT P10636 3/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
CASP3 P42574 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL69420 0.94 APP (0.39) APPCA12CA1CA2CA6
SCHEMBL29451185 0.94 APP (0.39) APPCA12CA1CA2CA6
SCHEMBL483576 0.92 LTB4R (0.41) APPCA12CA1CA2CA6
SCHEMBL3657351 0.92 LTB4R (0.37) CYP2A6APPCA12CA1CA2
SCHEMBL343039 0.92 KDM4E (0.37) CYP2A6APPCA12CA9LTB4R
SCHEMBL747965 0.88 APP (0.33) APPCA12CA1CA9LTB4R
SCHEMBL6029914 0.88 APP (0.43) APPKDM4EALDH1A1HPGDMAPT
Carbamic Acid SCHEMBL4557178 0.87 LTB4R (0.41) APPLTB4RKDM4EALDH1A1HPGD
SCHEMBL6030100 0.87 GABRA1 (0.34) APPLTB4RKDM4EALDH1A1HPGD
SCHEMBL3668856 0.86 APP (0.33) APPLTB4RKDM4EALDH1A1HPGD

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 324 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-20120035050-A1 Synergistic Combinations Of Active Ingredients BAYER CROPSCIENCE AG (DE) 2012-02-09 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-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
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-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 CYP2A6 1020/4885APP 2561/4885CA12 2801/4885
US-20160150785-A1 Synergistic Fungicidal Active Substance Combinations CYP1A2, CAT, CYP51A1 CYP2A6 75/4885APP 4608/4885CA12 1392/4885
US-20140213557-A1 Active Compound Combinations AGXT, GLUL, GMNN CYP2A6 1020/4885APP 2561/4885CA12 2801/4885
US-20120035050-A1 Synergistic Combinations Of Active Ingredients C1S, MAN2B1, MANBA CYP2A6 1996/4885APP 1465/4885CA12 1612/4885
US-20110166109-A1 Synergistic Active Compound Combinations Comprising Phenyltriazoles NAT1, ACAT1, CAT CYP2A6 1121/4885APP 790/4885CA12 2618/4885
US-20070060579-A1 Synergistic fungicidal active substance combinations CYP51A1, CYP1A2, CYP4X1 CYP2A6 68/4885APP 4483/4885CA12 1316/4885
US-20120015910-A1 Synergistic fungicidal active substance combinations CYP51A1, CYP1A2, CYP4X1 CYP2A6 68/4885APP 4483/4885CA12 1316/4885
US-20130196981-A1 Synergistic Fungicidal Active Substance Combinations CYP51A1, CYP1A2, CYP4X1 CYP2A6 68/4885APP 4483/4885CA12 1316/4885

“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.