SCHEMBL3323710

SCHEMBL3323710

CCN(C)C=Nc1cc(C)c(Oc2ccc(-c3ccc(C(C)(C)C)cc3)cc2)cc1C

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 2/20 0.31
NPC1 O15118 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
MAPK1 P28482 1/20 0.31
RAB9A P51151 1/20 0.31
FGFR2 P21802 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
GAA P10253 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 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
SCHEMBL3323706 1.00 KDM4E (0.34) KDM4EALDH1A1NPC1MAPTHPGD
SCHEMBL3324288 0.90 SLC6A4 (0.39) MAPT
SCHEMBL3324292 0.90 SLC6A4 (0.39) MAPT
SCHEMBL3326015 0.87 SLC6A4 (0.34) ALDH1A1NPC1RAB9ACYP3A4
SCHEMBL3324790 0.87 SLC6A4 (0.34) ALDH1A1NPC1HPGDMAPK1RAB9A
SCHEMBL3326013 0.87 SLC6A4 (0.34) ALDH1A1NPC1RAB9ACYP3A4
SCHEMBL3324786 0.87 SLC6A4 (0.34) ALDH1A1NPC1HPGDMAPK1RAB9A
SCHEMBL3323221 0.86 PPARD (0.35) ALDH1A1CYP3A4
SCHEMBL12710229 0.86 SLC6A4 (0.35) KDM4EALDH1A1MAPTHPGDCYP1A2
SCHEMBL3323218 0.86 PPARD (0.35) ALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8299302-B2 4-Cycloalkyl or 4-substituted phenoxyphenylamidines and use thereof as fungicides BAYER CROPSCIENCE AG (DE) 2012-10-30 US claimed
US-20100120615-A1 4-CYCLOALKYL OR 4-SUBSTITUTED PHENOXYPHENYLAMIDINES AND USE THEREOF AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2010-05-13 US claimed
EP-1969934-A1 4-cycloalkyl or 4-aryl substituted phenoxy phenylamidines and their use as fungicides Bayer CropScience AG (DE) 2008-09-17 EP claimed
US-8748662-B2 4-cycloalkyl or 4-aryl substituted phenoxyphenylamidines and use thereof as fungicides BAYER CROPSCIENCE AG (DE) 2014-06-10 US disclosed
US-20130012742-A1 4-CYCLOALKYL OR 4-SUBSTITUTED PHENOXYPHENYLAMIDINES AND USE THEREOF AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2013-01-10 US disclosed
US-8299302-B2 4-Cycloalkyl or 4-substituted phenoxyphenylamidines and use thereof as fungicides BAYER CROPSCIENCE AG (DE) 2012-10-30 US disclosed
US-20100120615-A1 4-CYCLOALKYL OR 4-SUBSTITUTED PHENOXYPHENYLAMIDINES AND USE THEREOF AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2010-05-13 US disclosed
EP-2120560-A1 4-CYCLOALKYL OR 4-ARYL SUBSTITUTED PHENOXYPHENYLAMIDINES AND USE THEREOF AS FUNGICIDES Bayer CropScience Aktiengesellschaft (DE) 2009-11-25 EP disclosed
WO-2008110315-A1 4-CYCLOALKYL OR 4-ARYL SUBSTITUTED PHENOXYPHENYLAMIDINES AND USE TEHROF AS FUNGICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2008-09-18 WO disclosed
EP-1969934-A1 4-cycloalkyl or 4-aryl substituted phenoxy phenylamidines and their use as fungicides Bayer CropScience AG (DE) 2008-09-17 EP 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 (2 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-20100120615-A1 4-CYCLOALKYL OR 4-SUBSTITUTED PHENOXYPHENYLAMIDINES AND USE THEREOF AS FUNGICIDES DDT, CYP4B1, PAH KDM4E 291/4885ALDH1A1 763/4885NPC1 3850/4885
US-20130012742-A1 4-CYCLOALKYL OR 4-SUBSTITUTED PHENOXYPHENYLAMIDINES AND USE THEREOF AS FUNGICIDES DDT, CYP4B1, PAH KDM4E 291/4885ALDH1A1 763/4885NPC1 3850/4885

“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.