SCHEMBL4185267

SCHEMBL4185267

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

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GJB2 P29033 1/20 0.50
TLR4 O00206 6/20 0.49
LY96 Q9Y6Y9 3/20 0.47
KDM4E B2RXH2 1/20 0.47
POLB P06746 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TK2 O00142 2/20 0.47

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
SCHEMBL3388845 1.00 GJB2 (0.50) GJB2TLR4LY96KDM4EPOLB
SCHEMBL3393530 1.00 GJB2 (0.50) GJB2TLR4LY96KDM4EPOLB
SCHEMBL4185389 1.00 GJB2 (0.50) GJB2TLR4LY96KDM4EPOLB
SCHEMBL4181281 1.00 GJB2 (0.50) GJB2TLR4LY96KDM4EPOLB
SCHEMBL4199466 1.00 GJB2 (0.50) GJB2TLR4LY96KDM4EPOLB
SCHEMBL2959757 0.93 TLR4 (0.54) GJB2TLR4
SCHEMBL4199470 0.93 LGALS8 (0.50) GJB2TLR4LY96TK2
SCHEMBL4185394 0.93 LGALS8 (0.50) GJB2TLR4LY96TK2
SCHEMBL3393533 0.93 LGALS8 (0.50) GJB2TLR4LY96TK2
SCHEMBL4181285 0.93 LGALS8 (0.50) GJB2TLR4LY96TK2

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 5 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-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 GJB2 4097/4885TLR4 477/4885LY96 81/4885
US-20070160556-A1 Surfactant, and an emulsion-type cosmetic composition and a liposome containing said surfactant TREH, LIPA, CUTA GJB2 4097/4885TLR4 477/4885LY96 81/4885
US-20090098172-A1 SURFACTANT, AND EMULSION COSMETIC AND LIPOSOME EACH CONTAINING THE SAME TREH, LIPA, SGMS1 GJB2 4241/4885TLR4 513/4885LY96 82/4885

“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.