SCHEMBL12972769

SCHEMBL12972769

CCCCCCCCCCC[C@H](CC(=O)OC)OCc1ccc(OC)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 6/20 0.46
MMP2 P08253 3/20 0.46
MMP3 P08254 2/20 0.46
HDAC2 Q92769 3/20 0.46
MMP9 P14780 6/20 0.46
MMP13 P45452 4/20 0.46
ADAM17 P78536 4/20 0.46
TBXAS1 P24557 2/20 0.44
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
CNR1 P21554 3/20 0.43
CNR2 P34972 1/20 0.42

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
SCHEMBL19571233 1.00 MMP1 (0.46) MMP1MMP2MMP3HDAC2MMP9
SCHEMBL2638976 0.89 MMP9 (0.53) MMP1MMP2MMP3HDAC2MMP9
SCHEMBL1359555 0.89 MMP9 (0.53) MMP1MMP2MMP3HDAC2MMP9
SCHEMBL1360010 0.89 MMP9 (0.53) MMP1MMP2MMP3HDAC2MMP9
SCHEMBL1358444 0.89 MMP9 (0.53) MMP1MMP2MMP3HDAC2MMP9
SCHEMBL2637880 0.88 TBXAS1 (0.44) MMP1MMP2MMP3HDAC2MMP9
SCHEMBL2637881 0.88 TBXAS1 (0.44) MMP1MMP2MMP3HDAC2MMP9
SCHEMBL8780188 0.87 CETP (0.47) MMP1MMP2CNR2
SCHEMBL4968691 0.87 CETP (0.47) MMP1MMP2CNR2
SCHEMBL18432775 0.87 CETP (0.47) MMP1MMP2CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105131051-B Synthetic glucopyranosyl lipid adjuvants 传染性疾病研究院 2020-07-10 CN disclosed
US-9814772-B2 Synthetic glucopyranosyl lipid adjuvants INFECTIOUS DISEASE RESEARCH INSTITUTE (US) 2017-11-14 US disclosed
EP-3124491-A1 SYNTHETIC GLUCOPYRANOSYL LIPID ADJUVANTS AND VACCINE COMPOSITIONS CONTAINING THEM Infectious Disease Research Institute (US) 2017-02-01 EP disclosed
EP-2437753-B1 SYNTHETIC GLUCOPYRANOSYL LIPID ADJUVANTS AND VACCINE COMPOSITIONS CONTAINING THEM INFECTIOUS DISEASE RES INST (US) 2016-08-31 EP disclosed
US-8722064-B2 Synthetic glucopyranosyl lipid adjuvants INFECTIOUS DISEASE RESEARCH INSTITUTE (US) 2014-05-13 US disclosed
WO-2010141861-A1 SYNTHETIC GLUCOPYRANOSYL LIPID ADJUVANTS INFECTIOUS DISEASE RESEARCH INSTITUTE (US) 2010-12-09 WO disclosed
US-20100310602-A1 SYNTHETIC GLUCOPYRANOSYL LIPID ADJUVANTS INFECTIOUS DISEASE RESEARCH INSTITUTE (US) 2010-12-09 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-20100310602-A1 SYNTHETIC GLUCOPYRANOSYL LIPID ADJUVANTS B3GAT3, GLA, LGALS8 MMP1 4673/4885MMP2 3071/4885MMP3 3154/4885

“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.