SCHEMBL14400226

SCHEMBL14400226

CO[C@H]1OC(COC(C)=O)[C@H](O[C@@H]2OC(COC(C)=O)C(O[C@H]3OC(COC(C)=O)[C@H](O[C@@H]4OC(COC(C)=O)C(O)[C@H](OC(C)=O)C4NC(C)=O)C(OC(C)=O)[C@H]3NC(C)=O)[C@H](OC(C)=O)C2NC(C)=O)C(OC(C)=O)[C@H]1NC(C)=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ POLB P06746 2/20 0.52
▸ ALDH1A1 P00352 2/20 0.52
▸ CYP3A4 P08684 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.45
▸ CYP2D6 P10635 1/20 0.43
▸ THRB P10828 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ LGALS3 P17931 4/20 0.41
▸ LGALS1 P09382 1/20 0.40
▸ LGALS7; LGALS7B P47929 1/20 0.40
▸ MMP9 P14780 1/20 0.40
▸ MMP12 P39900 1/20 0.40
▸ CA12 O43570 7/20 0.39
▸ CA1 P00915 7/20 0.39
▸ CA2 P00918 7/20 0.39

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
SCHEMBL12153379 1.00 LMNA (0.53) LMNAKMT2APOLBALDH1A1CYP3A4
SCHEMBL2817867 1.00 LMNA (0.53) LMNAKMT2APOLBALDH1A1CYP3A4
SCHEMBL19572694 0.88 LMNA (0.64) LMNAKMT2APOLBALDH1A1CYP3A4
SCHEMBL19772702 0.88 LMNA (0.64) LMNAKMT2APOLBALDH1A1CYP3A4
SCHEMBL20348905 0.88 LMNA (0.64) LMNAKMT2APOLBALDH1A1CYP3A4
SCHEMBL24807806 0.88 LMNA (0.64) LMNAKMT2APOLBALDH1A1CYP3A4
SCHEMBL15334243 0.88 LMNA (0.64) LMNAKMT2APOLBALDH1A1CYP3A4
SCHEMBL18972833 0.88 LMNA (0.64) LMNAKMT2APOLBALDH1A1CYP3A4
SCHEMBL22927913 0.88 LMNA (0.64) LMNAKMT2APOLBALDH1A1CYP3A4
SCHEMBL18513238 0.88 LMNA (0.64) LMNAKMT2APOLBALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9090644-B2 Processes for chemical synthesis of lipochitooligosaccharides E I DU PONT DE NEMOURS AND COMPANY (US) 2015-07-28 — — US disclosed
US-20140303361-A1 PROCESSES FOR CHEMICAL SYNTHESIS OF LIPOCHITOOLIGOSACCHARIDES DU PONT (US) 2014-10-09 — — US disclosed
US-20070238872-A1 Processes for chemical synthesis of lipochitooligosaccharides E. I. DU PONT DE NEMOURS AND COMPANY 2007-10-11 — — 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-20140303361-A1 PROCESSES FOR CHEMICAL SYNTHESIS OF LIPOCHITOOLIGOSACCHARIDES PGLS, ALG1, DDOST LMNA 1963/4885KMT2A 1866/4885POLB 1654/4885

“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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