SCHEMBL17736190

SCHEMBL17736190

CC(=O)OC1[C@@H](CO)O[C@@H](OC(C)=O)[C@H]1OC(C)=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 1/20 0.49
▸ THRB P10828 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ OGA O60502 1/20 0.46
▸ CA2 P00918 6/20 0.45
▸ CA1 P00915 5/20 0.43
▸ CA4 P22748 4/20 0.43
▸ CA5A P35218 4/20 0.43
▸ CA5B Q9Y2D0 4/20 0.43
▸ CA12 O43570 4/20 0.43
▸ CA7 P43166 3/20 0.43
▸ PRKCA P17252 2/20 0.40
▸ PRKD3 O94806 1/20 0.40
▸ PRKCG P05129 1/20 0.40
▸ PRKCB P05771 1/20 0.40
▸ PRKCH P24723 1/20 0.40
▸ PRKCE Q02156 1/20 0.40
▸ PRKCQ Q04759 1/20 0.40
▸ PRKCD Q05655 1/20 0.40
▸ PRKD1 Q15139 1/20 0.40

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
SCHEMBL1800609 1.00 CYP2D6 (0.49) CYP2D6THRBHSD17B10OGACA2
SCHEMBL1800607 1.00 CYP2D6 (0.49) CYP2D6THRBHSD17B10OGACA2
SCHEMBL17889827 1.00 CYP2D6 (0.49) CYP2D6THRBHSD17B10OGACA2
SCHEMBL3878862 1.00 CYP2D6 (0.49) CYP2D6THRBHSD17B10OGACA2
SCHEMBL6376930 1.00 CYP2D6 (0.49) CYP2D6THRBHSD17B10OGACA2
SCHEMBL1800610 1.00 CYP2D6 (0.49) CYP2D6THRBHSD17B10OGACA2
SCHEMBL17571769 1.00 CYP2D6 (0.49) CYP2D6THRBHSD17B10OGACA2
SCHEMBL14307748 1.00 CYP2D6 (0.49) CYP2D6THRBHSD17B10OGACA2
SCHEMBL314060 0.98 CYP2D6 (0.51) CYP2D6THRBHSD17B10OGACA2
SCHEMBL4619592 0.98 CYP2D6 (0.51) CYP2D6THRBHSD17B10OGACA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160131649-A1 MICROBIAL GLYCANS AS A TARGET OF HUMAN INTELECTIN NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-05-12 — — 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-20160131649-A1 MICROBIAL GLYCANS AS A TARGET OF HUMAN INTELECTIN HINT1, DERL1, ENGASE CYP2D6 4433/4885THRB 3361/4885HSD17B10 3992/4885

“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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