SCHEMBL4193271

SCHEMBL4193271

CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O[C@@H]1[C@@H](O)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@H](CO)[C@H]1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 4/20 0.49
ALDH1A1 P00352 3/20 0.46
CYP3A4 P08684 2/20 0.46
ALOX15 P16050 2/20 0.46
HSD17B10 Q99714 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
TSHR P16473 1/20 0.46
KDM4E B2RXH2 2/20 0.43
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
LGALS8 O00214 2/20 0.42
SELP P16109 1/20 0.41
F7 P08709 2/20 0.41
F3 P13726 2/20 0.41
MAPT P10636 2/20 0.41
OXER1 Q8TDS5 1/20 0.41
MEN1 O00255 1/20 0.41
FFAR1 O14842 1/20 0.41
NR1I2 O75469 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL4193269 0.94 TLR4 (0.49) TLR4ALDH1A1CYP3A4ALOX15HSD17B10
SCHEMBL7532142 0.94 TLR4 (0.56) TLR4SELP
SCHEMBL2959758 0.91 TLR4 (0.54) TLR4SELP
SCHEMBL509203 0.90 TLR4 (0.50) TLR4LGALS8SELP
SCHEMBL10385049 0.90 TLR4 (0.52) TLR4ALDH1A1CYP3A4ALOX15HSD17B10
SCHEMBL9082185 0.90 TLR4 (0.52) TLR4ALDH1A1CYP3A4ALOX15HSD17B10
SCHEMBL9347376 0.89 TLR4 (0.49) TLR4ALDH1A1CYP3A4ALOX15HSD17B10
SCHEMBL9347370 0.89 TLR4 (0.51) TLR4ALDH1A1CYP3A4ALOX15HSD17B10
SCHEMBL7532141 0.88 TLR4 (0.56) TLR4SELP
SCHEMBL2959757 0.85 TLR4 (0.54) TLR4SELP

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 6 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
US-6497898-B1 STABILITY, DRUG AND COSMETIC DELIVERY KANEBO LTD (JP) 2002-12-24 US disclosed
EP-0729781-B1 LIPOSOME COMPRISING A MEMBRANE WALL COMPOSED OF A TREHALOSE FATTY ACID ESTER KANEBO LTD (JP) 2002-08-07 EP disclosed
EP-0729781-A1 SURFACTANT, AND EMULSION COSMETIC AND LIPOSOME EACH CONTAINING THE SAME Ikemoto, Takeshi (JP) 1996-09-04 EP 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 477/4885ALDH1A1 1898/4885CYP3A4 4168/4885
US-20070160556-A1 Surfactant, and an emulsion-type cosmetic composition and a liposome containing said surfactant TREH, LIPA, CUTA TLR4 477/4885ALDH1A1 1898/4885CYP3A4 4168/4885
US-20090098172-A1 SURFACTANT, AND EMULSION COSMETIC AND LIPOSOME EACH CONTAINING THE SAME TREH, LIPA, SGMS1 TLR4 513/4885ALDH1A1 1827/4885CYP3A4 4469/4885

“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.