SCHEMBL16070897

SCHEMBL16070897

CCCCCC/C=C/CCCCCCC/C=C/C(=O)NCC(=O)NC1C(OC2C(CO)OC(OC3C(CO)OC(OC4C(CO)OC(OC)C(NC(C)=O)C4O)C(NC(C)=O)C3O)C(NC(C)=O)C2O)OC(CO)C(O)C1O

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.50
▸ LGALS3 P17931 6/20 0.46
▸ LGALS8 O00214 1/20 0.46
▸ LGALS4 P56470 1/20 0.46
▸ CHIA Q9BZP6 1/20 0.44
▸ LGALS7; LGALS7B P47929 2/20 0.43
▸ LGALS1 P09382 1/20 0.43
▸ LGALS9 O00182 2/20 0.42
▸ CD69 Q07108 1/20 0.42
▸ TLR4 O00206 4/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ APEX1 P27695 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ MAPT P10636 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL16070884 0.91 MAPK1 (0.49) MAPK1TLR4ALDH1A1THRB
SCHEMBL2791012 0.89 MAPK1 (0.54) MAPK1LGALS3LGALS8LGALS4CHIA
SCHEMBL10064893 0.89 MAPK1 (0.54) MAPK1LGALS3LGALS8LGALS4CHIA
SCHEMBL2741377 0.85 MAPK1 (0.50) MAPK1LGALS3LGALS8LGALS4CHIA
SCHEMBL2741376 0.85 MAPK1 (0.50) MAPK1LGALS3LGALS8LGALS4CHIA
SCHEMBL17356269 0.84 MAPK1 (0.47) MAPK1LGALS3LGALS8LGALS4CHIA
SCHEMBL19225396 0.83 MAPK1 (0.55) MAPK1LGALS3LGALS8LGALS4CHIA
SCHEMBL16433864 0.82 MAPK1 (0.54) MAPK1LGALS3LGALS8LGALS4CHIA
SCHEMBL16623686 0.82 MAPK1 (0.54) MAPK1LGALS3LGALS8LGALS4CHIA
SCHEMBL18024461 0.82 MAPK1 (0.54) MAPK1LGALS3LGALS8LGALS4CHIA

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-20160021879-A1 SYNTHETIC LIPOAMINO ACID GLUCOSAMINE DERIVATIVES FOR IMPROVEMENT OF PLANT GROWTH AND YIELD E. I. DU PONT DE NEMOURS AND COMPANY (US) 2016-01-28 — — US disclosed
US-20160021879-A1 SYNTHETIC LIPOAMINO ACID GLUCOSAMINE DERIVATIVES FOR IMPROVEMENT OF PLANT GROWTH AND YIELD E. I. DU PONT DE NEMOURS AND COMPANY (US) 2016-01-28 — — US disclosed
WO-2014143620-A1 SYNTHETIC LIPOAMINO ACID GLUCOSAMINE DERIVATIVES FOR IMPROVEMENT OF PLANT GROWTH AND YIELD E. I. DU PONT DE NEMOURS AND COMPANY (US) 2014-09-18 — — 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-20160021879-A1 SYNTHETIC LIPOAMINO ACID GLUCOSAMINE DERIVATIVES FOR IMPROVEMENT OF PLANT GROWTH AND YIELD CHIT1, GMDS, NANS MAPK1 1853/4885LGALS3 154/4885LGALS8 304/4885

“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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