SCHEMBL16070884

SCHEMBL16070884

CCCCCC/C=C\CCCCCCC/C=C/C(=O)NCC(=O)NC1C(OC)OC(CO)C(O)C1O

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.49
▸ CA2 P00918 2/20 0.46
▸ CA9 Q16790 2/20 0.46
▸ TLR4 O00206 4/20 0.44
▸ CETP P11597 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ SELP P16109 3/20 0.39

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
SCHEMBL16070897 0.91 MAPK1 (0.50) MAPK1TLR4ALDH1A1THRB
SCHEMBL16070899 0.89 TLR4 (0.52) MAPK1CA2CA9TLR4ALDH1A1
SCHEMBL17208311 0.87 TLR4 (0.57) MAPK1CA2CA9TLR4SELP
SCHEMBL9233216 0.80 MAPK1 (0.60) MAPK1CA2CA9TLR4CA1
SCHEMBL16773657 0.79 TLR4 (0.60) MAPK1TLR4SELP
SCHEMBL10064893 0.78 MAPK1 (0.54) MAPK1TLR4ALDH1A1THRB
SCHEMBL2791012 0.78 MAPK1 (0.54) MAPK1TLR4ALDH1A1THRB
SCHEMBL2741377 0.75 MAPK1 (0.50) MAPK1TLR4ALDH1A1THRBSELP
SCHEMBL17208459 0.74 MAPK1 (0.87) MAPK1CA2CA9TLR4CETP
SCHEMBL16694432 0.74 MAPK1 (0.87) MAPK1CA2CA9TLR4CETP

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 4 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
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 1853/4885CA2 1965/4885CA9 2055/4885

“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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