SCHEMBL22006236

SCHEMBL22006236

CCCCCCCC/C=C\CCCCCCCC(=O)N[C@@H]1C(O)[C@H](O)[C@@H](CO)O[C@H]1O[C@H]1C(O)[C@@H](NC(C)=O)[C@H](O[C@H]2C(O)[C@@H](NC(C)=O)[C@H](O[C@H]3C(O)[C@@H](NC(C)=O)C(O)O[C@H]3CO)O[C@@H]2CO)O[C@H]1CO

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.54
▸ TLR4 O00206 10/20 0.53
▸ LGALS3 P17931 2/20 0.49
▸ LGALS8 O00214 1/20 0.49
▸ LGALS4 P56470 1/20 0.49
▸ CHIA Q9BZP6 1/20 0.47
▸ CD69 Q07108 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.44
▸ THRB P10828 1/20 0.44
▸ LY96 Q9Y6Y9 6/20 0.43

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
SCHEMBL20685510 1.00 MAPK1 (0.54) MAPK1TLR4LGALS3LGALS8LGALS4
SCHEMBL25924370 1.00 MAPK1 (0.54) MAPK1TLR4LGALS3LGALS8LGALS4
SCHEMBL16502193 1.00 MAPK1 (0.54) MAPK1TLR4LGALS3LGALS8LGALS4
SCHEMBL16433864 1.00 MAPK1 (0.54) MAPK1TLR4LGALS3LGALS8LGALS4
SCHEMBL16623686 1.00 MAPK1 (0.54) MAPK1TLR4LGALS3LGALS8LGALS4
SCHEMBL16623992 1.00 MAPK1 (0.54) MAPK1TLR4LGALS3LGALS8LGALS4
SCHEMBL18024461 1.00 MAPK1 (0.54) MAPK1TLR4LGALS3LGALS8LGALS4
SCHEMBL16502194 0.95 MAPK1 (0.60) MAPK1TLR4LGALS3LGALS8LGALS4
SCHEMBL19225396 0.94 MAPK1 (0.55) MAPK1TLR4LGALS3LGALS8LGALS4
SCHEMBL24955827 0.94 MAPK1 (0.58) MAPK1TLR4LGALS3LGALS8LGALS4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210037831-A1 Stable Inoculant Compositions and Methods for Producing Same NOVOZYMES BIOAG A/S (DK) 2021-02-11 — — US disclosed
US-20200154716-A1 STABLE LIQUID INOCULANT COMPOSITIONS COMPRISING DODECANE NOVOZYMES BIOAG A/S (DK) 2020-05-21 — — 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-20210037831-A1 Stable Inoculant Compositions and Methods for Producing Same SPOUT1, ERG28, EXOSC9 MAPK1 4029/4885TLR4 1973/4885LGALS3 2703/4885
US-20200154716-A1 STABLE LIQUID INOCULANT COMPOSITIONS COMPRISING DODECANE SPOUT1, HDHD5, DAD1 MAPK1 4000/4885TLR4 329/4885LGALS3 1505/4885

“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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