SCHEMBL10195334

SCHEMBL10195334

CCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1C1=C(O)C(C)(C)OC(C)(C)C1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.42
KDM4E B2RXH2 1/20 0.38
KMT2A Q03164 4/20 0.38
ALDH1A1 P00352 4/20 0.38
MEN1 O00255 3/20 0.38
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
HSPB1 P04792 1/20 0.36
MAPT P10636 3/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
MAPK1 P28482 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MYOC Q99972 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35
BCL9 O00512 1/20 0.35
CTNNB1 P35222 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL10195340 0.88 ALDH1A1 (0.45) POLBKDM4EKMT2AALDH1A1MEN1
SCHEMBL10195341 0.88 ALDH1A1 (0.37) POLBKDM4EKMT2AALDH1A1MEN1
SCHEMBL10195268 0.87 HSPB1 (0.43) KDM4EKMT2AALDH1A1MEN1HSPB1
SCHEMBL10195046 0.87 HSPB1 (0.42) KDM4EKMT2AALDH1A1MEN1HSPB1
SCHEMBL10195342 0.87 ALDH1A1 (0.47) POLBKDM4EKMT2AALDH1A1MEN1
SCHEMBL10195020 0.87 LMNA (0.33) POLBKMT2AALDH1A1MEN1MAPT
SCHEMBL16351652 0.87 LPAR1 (0.39) KMT2AALDH1A1MEN1NPSR1SMN1; SMN2
SCHEMBL10195074 0.86 MAOB (0.41) KDM4EKMT2AALDH1A1MEN1NPC1
SCHEMBL10195100 0.86 LTB4R (0.35) KMT2AALDH1A1MEN1HSPB1MAPT
SCHEMBL10195021 0.86 MAOB (0.39) POLBKMT2AMEN1MAPK1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140378305-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2014-12-25 US disclosed
US-8865623-B2 Herbicidally active cyclic diones and derivatives thereof, processes for their preparation, compositions, and method of controlling weeds SYNGENTA LIMITED (GB) 2014-10-21 US disclosed
US-20120021907-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-01-26 US 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-20140378305-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 POLB 4316/4885KDM4E 712/4885KMT2A 839/4885
US-20120021907-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 POLB 4374/4885KDM4E 1092/4885KMT2A 674/4885

“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.