SCHEMBL17453045

SCHEMBL17453045

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

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.48
▸ LMNA P02545 3/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ MAPK1 P28482 2/20 0.41
▸ POLB P06746 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ CA12 O43570 4/20 0.38
▸ CA1 P00915 4/20 0.38
▸ CA2 P00918 4/20 0.38
▸ CA9 Q16790 4/20 0.38
▸ CA14 Q9ULX7 4/20 0.38
▸ KDM4E B2RXH2 1/20 0.36
▸ TLR4 O00206 5/20 0.36
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ LY96 Q9Y6Y9 5/20 0.35

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
SCHEMBL2335548 1.00 MAPT (0.48) MAPTLMNAKMT2AMAPK1POLB
SCHEMBL2335538 1.00 MAPT (0.48) MAPTLMNAKMT2AMAPK1POLB
SCHEMBL17453047 1.00 MAPT (0.48) MAPTLMNAKMT2AMAPK1POLB
SCHEMBL17453046 1.00 MAPT (0.48) MAPTLMNAKMT2AMAPK1POLB
SCHEMBL2339111 1.00 MAPT (0.48) MAPTLMNAKMT2AMAPK1POLB
SCHEMBL2336925 0.93 MAPT (0.46) MAPTLMNAKMT2AMAPK1POLB
SCHEMBL2336920 0.93 MAPT (0.46) MAPTLMNAKMT2AMAPK1POLB
SCHEMBL2335003 0.88 LMNA (0.44) MAPTLMNAKMT2AMAPK1POLB
SCHEMBL2335000 0.88 LMNA (0.44) MAPTLMNAKMT2AMAPK1POLB
SCHEMBL3336078 0.88 LMNA (0.54) MAPTLMNAKMT2APOLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160016985-A1 SHORT-CHAIN FATTY ACID HEXOSAMINE ANALOGS AND THEIR USE IN TISSUE ENGINEERING APPLICATIONS THE JOHNS HOPKINS UNIVERSITY 2016-01-21 — — US disclosed
US-20160016985-A1 SHORT-CHAIN FATTY ACID HEXOSAMINE ANALOGS AND THEIR USE IN TISSUE ENGINEERING APPLICATIONS THE JOHNS HOPKINS UNIVERSITY 2016-01-21 — — 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-20160016985-A1 SHORT-CHAIN FATTY ACID HEXOSAMINE ANALOGS AND THEIR USE IN TISSUE ENGINEERING APPLICATIONS NFKBIA, IKBKG, NFKB1 MAPT 4525/4885LMNA 750/4885KMT2A 3208/4885

“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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