SCHEMBL2337575

SCHEMBL2337575

Cc1cc(Oc2ccc(Cl)c(C(C)(C)C)c2)c(Cl)cc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.44
ESRRA P11474 2/20 0.44
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
TTR P02766 1/20 0.42
PPOX P50336 1/20 0.42
TBXA2R P21731 1/20 0.41
PDE7A Q13946 2/20 0.40
NR1H4 Q96RI1 2/20 0.39
MERTK Q12866 1/20 0.38
GAA P10253 1/20 0.38
PKM P14618 1/20 0.38
POLB P06746 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HPGD P15428 2/20 0.37
ALDH1A1 P00352 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL2338697 0.93 TBXA2R (0.41) TDP1ESRRAMEN1KMT2ATTR
SCHEMBL6488771 0.81 TDP1 (0.47) TDP1ESRRAMEN1KMT2ATTR
SCHEMBL17355906 0.81 PDE7A (0.49) TDP1MEN1KMT2ATTRPPOX
SCHEMBL17351244 0.81 PDE7A (0.52) TDP1MEN1KMT2APDE7AMERTK
SCHEMBL17351212 0.79 TDP1 (0.57) TDP1MEN1KMT2ATTRPPOX
SCHEMBL2345358 0.78 ESRRA (0.42) ESRRAMEN1KMT2ANR1H4POLB
SCHEMBL3305076 0.78 HTR2A (0.47) TDP1MEN1KMT2ATTRPPOX
SCHEMBL17351270 0.74 HPGD (0.67) TDP1MEN1KMT2ATBXA2RGAA
SCHEMBL10756271 0.74 S1PR4 (0.56) TDP1TTRTBXA2RPDE7AGAA
SCHEMBL9332087 0.74 TDP1 (0.66) TDP1MEN1KMT2ATTRPPOX

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 TDP1 515/4885ESRRA 4304/4885MEN1 1846/4885

“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.