SCHEMBL10195477

SCHEMBL10195477

CCc1ccc(Oc2ccc([N+](=O)[O-])c(Cl)c2)cc1C1=C(O)CC2(CCOCC2)CC1=O

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
MMP9 P14780 1/20 0.32
MMP8 P22894 1/20 0.32
MMP13 P45452 1/20 0.32
MMP14 P50281 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL16181204 0.87 HTR2A (0.35) NPC1MMP1MMP2MMP3MMP9
SCHEMBL10195488 0.86 MAPT (0.41) KDM4EALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL10195119 0.85 MMP1 (0.36) MMP1MMP2MMP3MMP9MMP8
SCHEMBL10195169 0.84 HTR2A (0.36) MMP1MMP2MMP3MMP9MMP8
SCHEMBL10195479 0.83 PLA2G7 (0.32) MMP1MMP2MMP3MMP9MMP8
SCHEMBL10195478 0.83 CYP11B2 (0.43) MMP1MMP2MMP3MMP9MMP8
SCHEMBL16351649 0.82 LPAR1 (0.35) KDM4EALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL10195122 0.82 MAOB (0.37) NPC1RAB9AMMP1MMP2MMP3
SCHEMBL10195118 0.82 MMP1 (0.35) MMP1MMP2MMP3MMP9MMP8
SCHEMBL10196196 0.81 MAPK1 (0.35) MMP1MMP2MMP9MMP8MMP13

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 NPC1 4365/4885RAB9A 2665/4885MMP1 2182/4885
US-20120021907-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 NPC1 4585/4885RAB9A 3044/4885MMP1 2620/4885

“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.