SCHEMBL2338697

SCHEMBL2338697

Cc1cc([N+](=O)[O-])c(C)cc1Oc1ccc(Cl)c(C(C)(C)C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 1/20 0.41
TDP1 Q9NUW8 3/20 0.41
ESRRA P11474 2/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
TTR P02766 1/20 0.40
PPOX P50336 1/20 0.40
NR1H4 Q96RI1 2/20 0.39
MERTK Q12866 1/20 0.38
PDE7A Q13946 2/20 0.38
POLB P06746 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HPGD P15428 3/20 0.37
ALDH1A1 P00352 3/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TSHR P16473 1/20 0.36
LMNA P02545 1/20 0.36
RAF1 P04049 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL2337575 0.93 TDP1 (0.44) TBXA2RTDP1ESRRAMEN1KMT2A
SCHEMBL6488771 0.89 TDP1 (0.47) TBXA2RTDP1ESRRAMEN1KMT2A
SCHEMBL3305076 0.85 HTR2A (0.47) TBXA2RTDP1MEN1KMT2ATTR
SCHEMBL2334806 0.78 ESRRA (0.40) ESRRAMEN1KMT2ANR1H4POLB
SCHEMBL5179247 0.77 ALDH1A1 (0.41) TBXA2RTDP1MEN1KMT2APOLB
SCHEMBL16386609 0.74 LMNA (0.38) TDP1MEN1KMT2AMERTKPDE7A
SCHEMBL3298841 0.74 KMT2A (0.44) MEN1KMT2APOLBL3MBTL1HPGD
SCHEMBL10424841 0.74 ALDH1A1 (0.46) MEN1KMT2APDE7APOLBL3MBTL1
SCHEMBL3322580 0.74 SMN1; SMN2 (0.51) TBXA2RMEN1KMT2AMERTKPDE7A
SCHEMBL3318989 0.74 SMN1; SMN2 (0.53) TBXA2RTDP1MEN1KMT2ATTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8183296-B2 Pesticide phenyloxy substituted phenylamidine derivatives BAYER CROPSCIENCE AG (DE) 2012-05-22 US disclosed
EP-1931622-B1 PHENYLOXY SUBSTITUTED PHENYLAMIDINE DERIVATIVES AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2011-08-24 EP disclosed
US-20090042994-A1 PESTICIDE PHENYLOXY SUBSTITUTED PHENYLAMIDINE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2009-02-12 US disclosed
EP-1931622-A1 PESTICIDE PHENYLOXY SUBSTITUTED PHENYLAMIDINE DERIVATIVES Bayer CropScience AG (DE) 2008-06-18 EP disclosed
WO-2007031508-A1 PESTICIDE PHENYLOXY SUBSTITUTED PHENYLAMIDINE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2007-03-22 WO 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 (1 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-20090042994-A1 PESTICIDE PHENYLOXY SUBSTITUTED PHENYLAMIDINE DERIVATIVES DDT, PFAS, PIR TBXA2R 4656/4885TDP1 515/4885ESRRA 4304/4885

“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.