SCHEMBL424402

SCHEMBL424402

CCOC(C)=C(C(=O)O)c1ccccc1C(=NOC(CC)c1ccccn1)OCC1CC1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CNR2 P34972 4/20 0.33
PTGIR P43119 3/20 0.32
KDM4E B2RXH2 4/20 0.32
ALDH1A1 P00352 4/20 0.32
MAPT P10636 2/20 0.32
TAAR1 Q96RJ0 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
NOS2 P35228 1/20 0.31
CYP1A2 P05177 1/20 0.31
POLB P06746 1/20 0.31
CNR1 P21554 1/20 0.31

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
SCHEMBL3463067 0.84 PTGIR (0.33) MEN1GAAKMT2ASMN1; SMN2CNR2
SCHEMBL6515405 0.84 PTGIR (0.33) MEN1GAAKMT2ASMN1; SMN2CNR2
SCHEMBL4623301 0.83 PTGIR (0.34) MEN1GAAKMT2ASMN1; SMN2CNR2
SCHEMBL4623306 0.83 PTGIR (0.34) MEN1GAAKMT2ASMN1; SMN2CNR2
SCHEMBL6411933 0.83 PTGIR (0.34) MEN1GAAKMT2ASMN1; SMN2CNR2
SCHEMBL424401 0.79 CNR2 (0.33) MEN1GAAKMT2ASMN1; SMN2CNR2
SCHEMBL424400 0.79 CNR2 (0.33) MEN1GAAKMT2ASMN1; SMN2CNR2
SCHEMBL7995297 0.69 ALDH1A1 (0.34) MEN1GAAKMT2ASMN1; SMN2KDM4E
SCHEMBL7972362 0.69 ALDH1A1 (0.34) MEN1GAAKMT2ASMN1; SMN2KDM4E
SCHEMBL7972305 0.64 ALDH1A1 (0.32) MEN1GAAKMT2ASMN1; SMN2ALDH1A1

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-20120021911-A1 Plant Treatment Compositions and Methods for Their Use GOWAN CO. (US) 2012-01-26 US disclosed
EP-2403336-A1 PLANT TREATMENT COMPOSITIONS AND METHODS FOR THEIR USE Gowan Co. (US) 2012-01-11 EP disclosed
US-20110218106-A1 PLANT TREATMENT COMPOSITIONS PARTICULARLY EFFECTIVE IN THE CONTROL OF HETERANTHERAL LIMOSA ON RICE CROPS, AND METHODS FOR THEIR USE GOWAN CO. (US) 2011-09-08 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-20110218106-A1 PLANT TREATMENT COMPOSITIONS PARTICULARLY EFFECTIVE IN THE CONTROL OF HETERANTHERAL LIMOSA ON RICE CROPS, AND METHODS FOR THEIR USE TRHDE, DDT, HPD MEN1 4747/4885GAA 1953/4885KMT2A 1157/4885
US-20120021911-A1 Plant Treatment Compositions and Methods for Their Use ALG1, DDT, ALG3 MEN1 2207/4885GAA 14/4885KMT2A 396/4885

“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.