SCHEMBL3322836

SCHEMBL3322836

COc1ccc(-c2ccc(Oc3cc(C)c(N)cc3C)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
DYRK1A Q13627 4/20 0.42
ALDH1A1 P00352 5/20 0.41
CYP3A4 P08684 4/20 0.41
MAPK1 P28482 2/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41
KMT2A Q03164 1/20 0.41
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
CASP3 P42574 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
GFER P55789 1/20 0.40

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
SCHEMBL3319650 0.81 MAPT (0.48) RAB9AL3MBTL1ALDH1A1CYP3A4MAPK1
SCHEMBL5181416 0.79 MAPT (0.56) L3MBTL1ALDH1A1CYP3A4MAPK1MEN1
SCHEMBL3317596 0.79 CYP3A4 (0.49) RAB9AL3MBTL1ALDH1A1CYP3A4MAPK1
SCHEMBL375549 0.77 DYRK1A (0.53) RAB9ADYRK1AALDH1A1CYP3A4MAPK1
SCHEMBL5178315 0.77 NPC1 (0.48) RAB9AL3MBTL1ALDH1A1CYP3A4MAPK1
SCHEMBL7016916 0.75 RAB9A (0.58) RAB9AL3MBTL1DYRK1AALDH1A1CYP3A4
SCHEMBL9516991 0.74 ALDH1A1 (0.46) RAB9AL3MBTL1ALDH1A1CYP3A4MAPK1
SCHEMBL31556301 0.74 MAPT (0.55) RAB9AL3MBTL1ALDH1A1MAPTKMT2A
SCHEMBL5549511 0.74 TDP1 (0.54) RAB9AL3MBTL1ALDH1A1CYP3A4MAPK1
SCHEMBL6314009 0.73 POLB (0.59) L3MBTL1ALDH1A1CYP3A4MAPK1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 RAB9A 2836/4885L3MBTL1 4149/4885DYRK1A 3542/4885
US-20130012742-A1 4-CYCLOALKYL OR 4-SUBSTITUTED PHENOXYPHENYLAMIDINES AND USE THEREOF AS FUNGICIDES DDT, CYP4B1, PAH RAB9A 2836/4885L3MBTL1 4149/4885DYRK1A 3542/4885

“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.