SCHEMBL12371582

SCHEMBL12371582

C=CCO[C@H]1O[C@@H]2COC(C)(C)OC2[C@H](OCCCCCCCCCC)[C@H]1NC(=O)C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.33
▸ CNR1 P21554 1/20 0.31
▸ CNR2 P34972 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL12600388 1.00 MAPK1 (0.33) MAPK1CNR1CNR2L3MBTL1
SCHEMBL12371580 1.00 MAPK1 (0.33) MAPK1CNR1CNR2L3MBTL1
SCHEMBL7141048 0.91 TLR4 (0.32) —
SCHEMBL12560742 0.91 MAPK1 (0.42) MAPK1CNR1CNR2L3MBTL1
SCHEMBL12371570 0.90 TLR4 (0.34) —
SCHEMBL12601165 0.88 MAPK1 (0.32) MAPK1
SCHEMBL10042138 0.87 L3MBTL1 (0.30) L3MBTL1
SCHEMBL4204268 0.86 TLR4 (0.37) MAPK1CNR1CNR2
SCHEMBL7136453 0.83 L3MBTL1 (0.31) L3MBTL1
SCHEMBL7136442 0.83 ASGR1 (0.33) L3MBTL1

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-7994154-B2 Substituted liposaccharides useful in the treatment and prevention of endotoxemia Ersai R&D Management Co., Ltd. (JP) 2011-08-09 — — US disclosed
US-20100227835-A1 SUBSTITUTED LIPOSACCHARIDES USEFUL IN THE TREATMENT AND PREVENTION OF ENDOTOXEMIA EISAI R&D MANAGEMENT CO., LTD (JP) 2010-09-09 — — 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-20100227835-A1 SUBSTITUTED LIPOSACCHARIDES USEFUL IN THE TREATMENT AND PREVENTION OF ENDOTOXEMIA LIPG, FUT6, UGCG MAPK1 3870/4885CNR1 2713/4885CNR2 2052/4885

“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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