SCHEMBL19220663

SCHEMBL19220663

CCCCCC/C=C\CCCCCCCC(=O)NC1[C@H](O[C@@H]2C(CO)O[C@@H](O[C@@H]3C(CO)O[C@@H](O[C@@H]4C(COS(=O)(=O)O)O[C@@H](C)C(NC(C)=O)[C@H]4O)C(NC(C)=O)[C@H]3O)C(NC(C)=O)[C@H]2O)OC(COC(C)=O)[C@@H](O)[C@@H]1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TLR4 O00206 4/20 0.43
▸ MAPK1 P28482 1/20 0.41
▸ BMP2 P12643 2/20 0.40
▸ VEGFA P15692 2/20 0.40
▸ CXCL12 P48061 2/20 0.40
▸ SHH Q15465 2/20 0.40
▸ SELP P16109 9/20 0.40
▸ LGALS8 O00214 1/20 0.39
▸ LGALS3 P17931 1/20 0.39
▸ LGALS4 P56470 1/20 0.39
▸ IFNG P01579 1/20 0.38
▸ PF4 P02776 1/20 0.38
▸ CCL2 P13500 1/20 0.38
▸ BMP6 P22004 1/20 0.38
▸ CCL11 P51671 1/20 0.38
▸ WNT3A P56704 1/20 0.38
▸ SELPLG Q14242 1/20 0.38
▸ HPSE Q9Y251 1/20 0.37
▸ PTN P21246 1/20 0.37
▸ MDK P21741 1/20 0.37

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
SCHEMBL16433509 0.95 MAPK1 (0.46) TLR4MAPK1BMP2VEGFACXCL12
SCHEMBL19220671 0.95 MAPK1 (0.46) TLR4MAPK1BMP2VEGFACXCL12
SCHEMBL19225477 0.94 TLR4 (0.44) TLR4MAPK1BMP2VEGFACXCL12
SCHEMBL22617797 0.94 TLR4 (0.44) TLR4MAPK1BMP2VEGFACXCL12
SCHEMBL19225429 0.94 TLR4 (0.44) TLR4MAPK1BMP2VEGFACXCL12
SCHEMBL19225475 0.94 TLR4 (0.44) TLR4MAPK1BMP2VEGFACXCL12
SCHEMBL21565161 0.94 TLR4 (0.44) TLR4MAPK1BMP2VEGFACXCL12
SCHEMBL20685511 0.94 TLR4 (0.44) TLR4MAPK1BMP2VEGFACXCL12
SCHEMBL19220669 0.94 TLR4 (0.44) TLR4MAPK1BMP2VEGFACXCL12
SCHEMBL25853180 0.94 TLR4 (0.44) TLR4MAPK1BMP2VEGFACXCL12

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-20170223956-A1 LIPO-CHITOOLIGOSACCHARIDE COMPOSITIONS FOR ENHANCING PLANT GROWTH NOVOZYMES BIOAG A/S (DK) 2017-08-10 — — 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-20170223956-A1 LIPO-CHITOOLIGOSACCHARIDE COMPOSITIONS FOR ENHANCING PLANT GROWTH CHIT1, LPO, DDOST TLR4 911/4885MAPK1 4270/4885BMP2 698/4885

“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.

Send feedback