SCHEMBL2988795

SCHEMBL2988795

CCCC(O)c1cccc(Oc2cc(C)c(/N=C/N(C)CC)cc2C)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.34
MAPK1 P28482 2/20 0.32
ALOX5 P09917 2/20 0.32
TP53 P04637 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
TSHR P16473 1/20 0.32
NFKB1 P19838 1/20 0.32
CYP2C19 P33261 1/20 0.32
HIF1A Q16665 1/20 0.32
MEN1 O00255 1/20 0.32
GMNN O75496 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
MTOR P42345 1/20 0.32
RECQL P46063 1/20 0.32

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
SCHEMBL2988799 1.00 AOC3 (0.34) AOC3MAPK1ALOX5TP53CYP1A2
SCHEMBL2981278 0.89 BCHE (0.34) AOC3ALOX5TSHRPTGS1FAAH
SCHEMBL2981276 0.89 BCHE (0.34) AOC3ALOX5TSHRPTGS1FAAH
SCHEMBL2982797 0.88 AOC3 (0.33) AOC3
SCHEMBL2982795 0.88 AOC3 (0.33) AOC3
SCHEMBL4429656 0.88 BCHE (0.34) AOC3BCHEACHE
SCHEMBL2981446 0.88 BCHE (0.31) AOC3HPGDFAAHBCHEACHE
SCHEMBL2978777 0.88 BCHE (0.33) AOC3TSHRPTGS1FAAHBCHE
SCHEMBL2981448 0.88 BCHE (0.31) AOC3HPGDFAAHBCHEACHE
SCHEMBL2978775 0.88 BCHE (0.33) AOC3TSHRPTGS1FAAHBCHE

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-8394991-B2 Phenoxy substituted phenylamidine derivatives and their use as fungicides BAYER CROPSCIENCE AG (DE) 2013-03-12 US claimed
US-20120122678-A1 PHENOXY SUBSTITUTED PHENYLAMIDINE DERIVATIVES AND THEIR USE AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2012-05-17 US claimed
US-20100167926-A1 3-SUBSTITUTED PHENOXYPHENYLAMIDINES AND USE THEREOF AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2010-07-01 US claimed
EP-2136628-A2 PHENOXY SUBSTITUTED PHENYLAMIDINE DERIVATIVES AND THEIR USE AS FUNGICIDES Bayer CropScience AG (DE) 2009-12-30 EP claimed
WO-2008110280-A2 PHENOXY SUBSTITUTED PHENYLAMIDINE DERIVATIVES AND THEIR USE AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2008-09-18 WO claimed
EP-1969932-A1 Phenoxy substituted phenylamidine derivatives and their use as fungicides Bayer CropScience AG (DE) 2008-09-17 EP claimed
US-8394991-B2 Phenoxy substituted phenylamidine derivatives and their use as fungicides BAYER CROPSCIENCE AG (DE) 2013-03-12 US disclosed
US-20120122678-A1 PHENOXY SUBSTITUTED PHENYLAMIDINE DERIVATIVES AND THEIR USE AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2012-05-17 US disclosed
US-20100167926-A1 3-SUBSTITUTED PHENOXYPHENYLAMIDINES AND USE THEREOF AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2010-07-01 US disclosed
EP-1969932-A1 Phenoxy substituted phenylamidine derivatives 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-20120122678-A1 PHENOXY SUBSTITUTED PHENYLAMIDINE DERIVATIVES AND THEIR USE AS FUNGICIDES PAH, DDT, PFAS AOC3 127/4885MAPK1 1604/4885ALOX5 1509/4885
US-20100167926-A1 3-SUBSTITUTED PHENOXYPHENYLAMIDINES AND USE THEREOF AS FUNGICIDES DDT, PAH, TH AOC3 93/4885MAPK1 2461/4885ALOX5 1816/4885

“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.