SCHEMBL2334092

SCHEMBL2334092

CCCC(=O)OC1O[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H](OC(=O)CCC)[C@H](OC(=O)CCC)[C@@H]1NC(C)=O

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ TLR4 O00206 7/20 0.42
▸ POLB P06746 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ TGM2 P21980 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ MMP12 P39900 2/20 0.37
▸ MMP9 P14780 1/20 0.37
▸ TYMP P19971 1/20 0.36
▸ LY96 Q9Y6Y9 2/20 0.35
▸ TSHR P16473 1/20 0.34

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
SCHEMBL17435235 1.00 LMNA (0.55) LMNAKMT2ATLR4POLBALDH1A1
SCHEMBL2342150 0.91 LMNA (0.46) LMNAKMT2ATLR4POLBALDH1A1
SCHEMBL15928794 0.91 LMNA (0.46) LMNAKMT2ATLR4POLBALDH1A1
SCHEMBL2338508 0.87 LMNA (0.62) LMNAKMT2APOLBALDH1A1TGM2
SCHEMBL6329773 0.87 LMNA (0.62) LMNAKMT2APOLBALDH1A1TGM2
SCHEMBL6329768 0.87 LMNA (0.62) LMNAKMT2APOLBALDH1A1TGM2
SCHEMBL22033962 0.87 TSHR (0.38) LMNAKMT2ATLR4TYMPTSHR
SCHEMBL22033911 0.87 TSHR (0.38) LMNAKMT2ATLR4TYMPTSHR
SCHEMBL23778467 0.81 TYMP (0.41) LMNAKMT2AALDH1A1CYP3A4MAPT
SCHEMBL22033913 0.80 MAPT (0.42) MAPTTYMPTSHR

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-20160151400-A1 HYBRID SCFA-HYDROXYL-DERIVATIZED MONOSACCHARIDES, METHODS OF SYNTHESIS, AND METHODS OF TREATING DISORDERS UNIV JOHNS HOPKINS (US) 2016-06-02 — — US disclosed
US-9067960-B2 Hybrid SCFA-hydroxyl-derivatized monosaccharides, methods of synthesis, and methods of treating disorders THE JOHNS HOPKINS UNIVERSITY (US) 2015-06-30 — — US disclosed
US-8916544-B2 Hybrid SCFA-hydroxyl-derivatized monosaccharides, methods of synthesis, and methods of treating disorders THE JOHNS HOPKINS UNIVERSITY (US) 2014-12-23 — — US disclosed
US-20140220630-A1 HYBRID SCFA-HYDROXYL-DERIVATIZED MONOSACCHARIDES, METHODS OF SYNTHESIS, AND METHODS OF TREATING DISORDERS THE JOHNS HOPKINS UNIVERSITY (US) 2014-08-07 — — US disclosed
US-20110206734-A1 HYBRID SCFA-HYDROXYL-DERIVATIZED MONOSACCHARIDES, METHODS OF SYNTHESIS, AND METHODS OF TREATING DISORDERS THE JOHNS HOPKINS UNIVERSITY (US) 2011-08-25 — — 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-20140220630-A1 HYBRID SCFA-HYDROXYL-DERIVATIZED MONOSACCHARIDES, METHODS OF SYNTHESIS, AND METHODS OF TREATING DISORDERS HCAR2, HSD17B14, FASN LMNA 1218/4885KMT2A 1073/4885TLR4 704/4885
US-20160151400-A1 HYBRID SCFA-HYDROXYL-DERIVATIZED MONOSACCHARIDES, METHODS OF SYNTHESIS, AND METHODS OF TREATING DISORDERS HCAR2, HSD17B14, FASN LMNA 1218/4885KMT2A 1073/4885TLR4 704/4885
US-20110206734-A1 HYBRID SCFA-HYDROXYL-DERIVATIZED MONOSACCHARIDES, METHODS OF SYNTHESIS, AND METHODS OF TREATING DISORDERS HCAR2, HSD17B14, FASN LMNA 1218/4885KMT2A 1073/4885TLR4 704/4885

“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.

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