SCHEMBL2303989

SCHEMBL2303989

CCCCCCCCCC(CCCCCCCCC)CC(=O)OCC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 1/20 0.52
LMNA P02545 1/20 0.47
ZDHHC7 Q9NXF8 1/20 0.46
GPR84 Q9NQS5 7/20 0.44
TRPA1 O75762 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP3A4 P08684 1/20 0.43
TSHR P16473 1/20 0.43
ATM Q13315 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
RECQL P46063 1/20 0.43
PRSS1 P07477 1/20 0.43
PRSS2 P07478 1/20 0.43
PRSS3 P35030 1/20 0.43
NAAA Q02083 1/20 0.42
DGKA P23743 1/20 0.42
FFAR1 O14842 1/20 0.42
MGAM O43451 1/20 0.41
GAA P10253 1/20 0.41
SI P14410 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
SCHEMBL5074119 1.00 TLR4 (0.52) TLR4LMNAZDHHC7GPR84TRPA1
SCHEMBL25775769 1.00 TLR4 (0.52) TLR4LMNAZDHHC7GPR84TRPA1
SCHEMBL9385105 1.00 TLR4 (0.52) TLR4LMNAZDHHC7GPR84TRPA1
SCHEMBL16013721 1.00 TLR4 (0.52) TLR4LMNAZDHHC7GPR84TRPA1
SCHEMBL21207449 1.00 TLR4 (0.52) TLR4LMNAZDHHC7GPR84TRPA1
SCHEMBL21207416 1.00 TLR4 (0.52) TLR4LMNAZDHHC7GPR84TRPA1
SCHEMBL5080021 1.00 TLR4 (0.52) TLR4LMNAZDHHC7GPR84TRPA1
SCHEMBL5074110 1.00 TLR4 (0.52) TLR4LMNAZDHHC7GPR84TRPA1
SCHEMBL3476036 1.00 TLR4 (0.52) TLR4LMNAZDHHC7GPR84TRPA1
SCHEMBL26113224 1.00 TLR4 (0.52) TLR4LMNAZDHHC7GPR84TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3733647-B1 CATIONIC LIPID EISAI R&D MAN CO LTD (JP) 2022-06-15 EP disclosed
US-10947193-B2 Cationic lipid EISAI R&D MANAGEMENT CO., LTD. (JP) 2021-03-16 US disclosed
EP-3733647-A1 CATIONIC LIPID Eisai R&D Management Co., Ltd. (JP) 2020-11-04 EP disclosed
US-20200308111-A1 Cationic Lipid EISAI R&D MANAGEMENT CO., LTD. (JP) 2020-10-01 US disclosed
CN-111417621-A Cationic lipids 卫材R&D管理有限公司 2020-07-14 CN disclosed
US-20140248317-A1 TREHALOSE COMPOUND, METHOD FOR PRODUCING SAME, AND PHARMACEUTICAL PRODUCT CONTAINING THE COMPOUND GLYTECH, INC. (JP) 2014-09-04 US disclosed
US-20140248317-A1 TREHALOSE COMPOUND, METHOD FOR PRODUCING SAME, AND PHARMACEUTICAL PRODUCT CONTAINING THE COMPOUND GLYTECH, INC. (JP) 2014-09-04 US disclosed
US-20140248317-A1 TREHALOSE COMPOUND, METHOD FOR PRODUCING SAME, AND PHARMACEUTICAL PRODUCT CONTAINING THE COMPOUND GLYTECH, INC. (JP) 2014-09-04 US disclosed
US-8741871-B2 Trehalose compound, method for producing same, and pharmaceutical product containing the compound GLYTECH, INC. (JP) 2014-06-03 US disclosed
US-8741871-B2 Trehalose compound, method for producing same, and pharmaceutical product containing the compound GLYTECH, INC. (JP) 2014-06-03 US disclosed
EP-2567963-A1 Trehalose compound, method for producing same, and pharmaceutical product containing the compound Otsuka Chemical Co., Ltd. (JP) 2013-03-13 EP disclosed
CN-102203110-A Trehalose compound, method for producing same, and pharmaceutical product containing the compound OTSUKA CHEMICAL CO LTD 2011-09-28 CN disclosed
US-20110218171-A1 TREHALOSE COMPOUND, METHOD FOR PRODUCING SAME, AND PHARMACEUTICAL PRODUCT CONTAINING THE COMPOUND OTSUKA CHEMICAL CO., LTD. (JP) 2011-09-08 US disclosed
US-20110218171-A1 TREHALOSE COMPOUND, METHOD FOR PRODUCING SAME, AND PHARMACEUTICAL PRODUCT CONTAINING THE COMPOUND OTSUKA CHEMICAL CO., LTD. (JP) 2011-09-08 US disclosed
EP-2351764-A1 TREHALOSE COMPOUND, METHOD FOR PRODUCING SAME, AND PHARMACEUTICAL PRODUCT CONTAINING THE COMPOUND Otsuka Chemical Co., Ltd. (JP) 2011-08-03 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 (4 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-20200308111-A1 Cationic Lipid NPC1L1, NPC1, LPCAT1 TLR4 1098/4885LMNA 321/4885ZDHHC7 281/4885
US-20110218171-A1 TREHALOSE COMPOUND, METHOD FOR PRODUCING SAME, AND PHARMACEUTICAL PRODUCT CONTAINING THE COMPOUND TREH, MAN2B1, NFATC1 TLR4 185/4885LMNA 1927/4885ZDHHC7 1407/4885
US-20140248317-A1 TREHALOSE COMPOUND, METHOD FOR PRODUCING SAME, AND PHARMACEUTICAL PRODUCT CONTAINING THE COMPOUND TREH, MAN2B1, NFATC1 TLR4 185/4885LMNA 1927/4885ZDHHC7 1407/4885
US-10947193-B2 Cationic lipid NPC1L1, NPC1, LPCAT1 TLR4 1098/4885LMNA 321/4885ZDHHC7 281/4885

“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.