SCHEMBL1360010

SCHEMBL1360010

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 5/20 0.53
MMP1 P03956 5/20 0.53
MMP2 P08253 2/20 0.53
FFAR1 O14842 7/20 0.49
HDAC2 Q92769 3/20 0.47
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47
MMP13 P45452 4/20 0.46
ADAM17 P78536 4/20 0.46
TBXAS1 P24557 1/20 0.45
MMP3 P08254 1/20 0.45
S1PR2 O95136 1/20 0.44

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
SCHEMBL1359555 1.00 MMP9 (0.53) MMP9MMP1MMP2FFAR1HDAC2
SCHEMBL1358444 1.00 MMP9 (0.53) MMP9MMP1MMP2FFAR1HDAC2
SCHEMBL2638976 1.00 MMP9 (0.53) MMP9MMP1MMP2FFAR1HDAC2
SCHEMBL12972769 0.89 MMP1 (0.46) MMP9MMP1MMP2HDAC2HDAC3
SCHEMBL2637880 0.89 TBXAS1 (0.44) MMP9MMP1MMP2FFAR1HDAC2
SCHEMBL2637881 0.89 TBXAS1 (0.44) MMP9MMP1MMP2FFAR1HDAC2
SCHEMBL19571233 0.89 MMP1 (0.46) MMP9MMP1MMP2HDAC2HDAC3
SCHEMBL1358863 0.87 MMP2 (0.50) MMP9MMP1MMP2MMP3
SCHEMBL1358859 0.87 MMP2 (0.50) MMP9MMP1MMP2MMP3
SCHEMBL1359365 0.87 MMP2 (0.50) MMP9MMP1MMP2MMP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9309276-B2 Synthetic lipid A derivative UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2016-04-12 US disclosed
US-20140011987-A1 Synthetic Lipid A Derivative UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2014-01-09 US disclosed
US-8563523-B2 Synthetic lipid A derivative UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2013-10-22 US disclosed
US-20110280893-A9 SYNTHETIC LIPID A DERIVATIVE UNIVERSITY OF GEORGIA RESEACH FOUNDATION, INC (US) 2011-11-17 US disclosed
US-7833993-B2 Immunomodulatory compounds and methods of use thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-11-16 US disclosed
US-20100221269-A1 SYNTHETIC LIPID A DERIVATIVE UNIVERSITY OF GEORGIA RESEACH FOUNDATION, INC (US) 2010-09-02 US disclosed
EP-1439184-B1 Immunological adjuvant compounds EISAI R&D MAN CO LTD (JP) 2010-06-16 EP disclosed
US-7560584-B2 Immunomodulatory compounds and methods of use thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-07-14 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-20140011987-A1 Synthetic Lipid A Derivative DDOST, STT3A, UGCG MMP9 4782/4885MMP1 4857/4885MMP2 4383/4885
US-20110280893-A9 SYNTHETIC LIPID A DERIVATIVE DDOST, STT3A, UGCG MMP9 4782/4885MMP1 4857/4885MMP2 4383/4885
US-20100221269-A1 SYNTHETIC LIPID A DERIVATIVE DDOST, STT3A, UGCG MMP9 4782/4885MMP1 4857/4885MMP2 4383/4885

“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.