SCHEMBL17208311

SCHEMBL17208311

CCCCCC/C=C/CCCCCCCC(=O)NC1C(OC)OC(CO)C(O)C1O

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TLR4 O00206 10/20 0.57
▸ MAPK1 P28482 1/20 0.54
▸ CNR1 P21554 2/20 0.49
▸ CNR2 P34972 2/20 0.49
▸ TRPV1 Q8NER1 2/20 0.49
▸ SELP P16109 3/20 0.47
▸ LY96 Q9Y6Y9 6/20 0.46
▸ CA2 P00918 1/20 0.45
▸ CA9 Q16790 1/20 0.45

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
SCHEMBL16070899 0.94 TLR4 (0.52) TLR4MAPK1CNR1CNR2TRPV1
SCHEMBL9233216 0.93 MAPK1 (0.60) TLR4MAPK1LY96CA2CA9
SCHEMBL16773657 0.92 TLR4 (0.60) TLR4MAPK1CNR1CNR2TRPV1
SCHEMBL2791012 0.90 MAPK1 (0.54) TLR4MAPK1LY96
SCHEMBL10064893 0.90 MAPK1 (0.54) TLR4MAPK1LY96
SCHEMBL16070884 0.87 MAPK1 (0.49) TLR4MAPK1SELPCA2CA9
SCHEMBL2741377 0.86 MAPK1 (0.50) TLR4MAPK1SELPLY96
SCHEMBL2741376 0.86 MAPK1 (0.50) TLR4MAPK1SELPLY96
SCHEMBL16160411 0.84 TLR4 (0.49) TLR4MAPK1CNR1CNR2TRPV1
SCHEMBL16160412 0.84 TLR4 (0.49) TLR4MAPK1CNR1CNR2TRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150305333-A1 USE OF GLUCOSAMINE AMIDES AS PLANT GROWTH AND YIELD ENHANCERS PIONEER HI-BRED INTERNATIONAL, INC. (US) 2015-10-29 — — 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 (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-20150305333-A1 USE OF GLUCOSAMINE AMIDES AS PLANT GROWTH AND YIELD ENHANCERS NANS, UGCG, B3GNT2 TLR4 2036/4885MAPK1 1850/4885CNR1 136/4885

“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.

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