SCHEMBL13875763

SCHEMBL13875763

C=CCCCCCCCCC(=O)OCC1OC(OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TLR4 O00206 1/20 0.47
▸ SLC2A1 P11166 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ PRKD3 O94806 1/20 0.40
▸ PRKCG P05129 1/20 0.40
▸ PRKCB P05771 1/20 0.40
▸ PRKCA P17252 1/20 0.40
▸ PRKCH P24723 1/20 0.40
▸ PRKCI P41743 1/20 0.40
▸ PRKCE Q02156 1/20 0.40
▸ PRKCQ Q04759 1/20 0.40
▸ PRKCZ Q05513 1/20 0.40
▸ PRKCD Q05655 1/20 0.40
▸ PRKD1 Q15139 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ STAT3 P40763 1/20 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
Trehalose SCHEMBL4653376 0.85 ABCC4 (0.51) SLC2A1KDM4EPOLBSMN1; SMN2L3MBTL1
SCHEMBL4182882 0.85 KDM4E (0.45) TLR4SLC2A1KDM4EPOLBSMN1; SMN2
SCHEMBL19962535 0.84 TLR4 (0.50) TLR4KDM4EPOLBSMN1; SMN2PRKD3
SCHEMBL4184737 0.84 SLC2A1 (0.46) TLR4SLC2A1KDM4EPOLBSMN1; SMN2
SCHEMBL12837376 0.83 TLR4 (0.63) TLR4
SCHEMBL19958459 0.83 TLR4 (0.63) TLR4
SCHEMBL13449598 0.83 TLR4 (0.63) TLR4
SCHEMBL19961998 0.83 TLR4 (0.48) TLR4KDM4EPOLBSMN1; SMN2PRKD3
SCHEMBL27613440 0.82 CDK1 (0.56) TLR4SLC2A1PRKD3PRKCGPRKCB
SCHEMBL16078204 0.82 TLR4 (0.49) TLR4SLC2A1PRKD3PRKCGPRKCB

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-20090098172-A1 SURFACTANT, AND EMULSION COSMETIC AND LIPOSOME EACH CONTAINING THE SAME KAO CORPORATION (JP) 2009-04-16 — — US disclosed
US-20070292462-A1 Surfactant, and an emulsion-type cosmetic composition and a liposome containing said surfactant KAO CORPORATION (JP) 2007-12-20 — — US disclosed
US-20070160556-A1 Surfactant, and an emulsion-type cosmetic composition and a liposome containing said surfactant IKEMOTO TAKESHI 2007-07-12 — — 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 (3 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-20070292462-A1 Surfactant, and an emulsion-type cosmetic composition and a liposome containing said surfactant TREH, LIPA, CUTA TLR4 477/4885SLC2A1 787/4885KDM4E 2706/4885
US-20070160556-A1 Surfactant, and an emulsion-type cosmetic composition and a liposome containing said surfactant TREH, LIPA, CUTA TLR4 477/4885SLC2A1 787/4885KDM4E 2706/4885
US-20090098172-A1 SURFACTANT, AND EMULSION COSMETIC AND LIPOSOME EACH CONTAINING THE SAME TREH, LIPA, SGMS1 TLR4 513/4885SLC2A1 884/4885KDM4E 2902/4885

“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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