SCHEMBL3336043

SCHEMBL3336043

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.49
▸ CYP2D6 P10635 1/20 0.45
▸ THRB P10828 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ CA2 P00918 8/20 0.44
▸ CA1 P00915 7/20 0.44
▸ CA12 O43570 6/20 0.44
▸ CA9 Q16790 6/20 0.44
▸ CA14 Q9ULX7 6/20 0.44
▸ TLR4 O00206 2/20 0.43
▸ ANTXR2 P58335 2/20 0.40
▸ PTPN1 P18031 1/20 0.39
▸ FYN P06241 2/20 0.38
▸ NR3C1 P04150 1/20 0.38
▸ ADRA2A P08913 1/20 0.38
▸ ADORA3 P0DMS8 1/20 0.38
▸ ADRA2B P18089 1/20 0.38
▸ DRD4 P21917 1/20 0.38
▸ DRD3 P35462 1/20 0.38
▸ TMPRSS2 O15393 1/20 0.38

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
SCHEMBL16500346 1.00 MAPT (0.49) MAPTCYP2D6THRBHSD17B10CA2
SCHEMBL13621251 1.00 MAPT (0.49) MAPTCYP2D6THRBHSD17B10CA2
SCHEMBL3334421 1.00 MAPT (0.49) MAPTCYP2D6THRBHSD17B10CA2
SCHEMBL20582014 1.00 MAPT (0.49) MAPTCYP2D6THRBHSD17B10CA2
SCHEMBL16500298 1.00 MAPT (0.49) MAPTCYP2D6THRBHSD17B10CA2
SCHEMBL19079629 0.98 MAPT (0.47) MAPTCYP2D6THRBHSD17B10CA2
SCHEMBL22107783 0.96 MAPT (0.46) MAPTCYP2D6THRBHSD17B10CA2
SCHEMBL22034432 0.93 MAPT (0.44) MAPTCYP2D6THRBHSD17B10CA2
SCHEMBL22034455 0.92 MAPT (0.43) MAPTCYP2D6THRBHSD17B10CA2
SCHEMBL22076451 0.91 MAPT (0.47) MAPTCYP2D6THRBHSD17B10CA2

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-9315532-B2 Fatty acid carbohydrate hybrid molecules as therapeutic agents and methods thereof THE JOHNS HOPKINS UNIVERSITY (US) 2016-04-19 — — US disclosed
US-20100144653-A1 Fatty acid carbohydrate hybrid molecules as therapeutic agents and methods thereof THE JOHNS HOPKINS UNIVERSITY (US) 2010-06-10 — — US disclosed
WO-2006127977-A1 FATTY ACID CARBOHYDRATE HYBRID MOLECULES AS THERAPEUTIC AGENTS AND METHODS THEREOF THE JOHNS HOPKINS UNIVERSITY (US) 2006-11-30 — — WO 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-20100144653-A1 Fatty acid carbohydrate hybrid molecules as therapeutic agents and methods thereof FASN, FABP1, FABP2 MAPT 2687/4885CYP2D6 3526/4885THRB 3251/4885

“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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