SCHEMBL19396312

SCHEMBL19396312

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 2/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ TSHR P16473 1/20 0.46
▸ NR3C1 P04150 1/20 0.46
▸ FYN P06241 1/20 0.46
▸ ADRA2A P08913 1/20 0.46
▸ ADORA3 P0DMS8 1/20 0.46
▸ ADRA2B P18089 1/20 0.46
▸ DRD4 P21917 1/20 0.46
▸ DRD3 P35462 1/20 0.46
▸ CA2 P00918 10/20 0.45
▸ CA12 O43570 9/20 0.45
▸ CA1 P00915 9/20 0.45
▸ CA9 Q16790 7/20 0.45
▸ MAPT P10636 1/20 0.42
▸ PKM P14618 1/20 0.41
▸ PTPN1 P18031 1/20 0.41
▸ LMNA P02545 2/20 0.40
▸ CA4 P22748 3/20 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
SCHEMBL13938174 1.00 THRB (0.47) THRBCYP2D6HSD17B10TSHRNR3C1
SCHEMBL17521873 1.00 THRB (0.47) THRBCYP2D6HSD17B10TSHRNR3C1
SCHEMBL21454715 0.95 THRB (0.48) THRBCYP2D6HSD17B10TSHRNR3C1
SCHEMBL17521934 0.93 CA2 (0.43) THRBCYP2D6HSD17B10TSHRNR3C1
SCHEMBL10103298 0.90 THRB (0.47) THRBCYP2D6HSD17B10TSHRNR3C1
SCHEMBL18272669 0.90 THRB (0.47) THRBCYP2D6HSD17B10TSHRNR3C1
SCHEMBL12548458 0.90 THRB (0.47) THRBCYP2D6HSD17B10TSHRNR3C1
SCHEMBL5850098 0.88 THRB (0.57) THRBCYP2D6HSD17B10TSHRNR3C1
SCHEMBL7038680 0.88 THRB (0.57) THRBCYP2D6HSD17B10TSHRNR3C1
SCHEMBL7038677 0.88 THRB (0.57) THRBCYP2D6HSD17B10TSHRNR3C1

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-20170275323-A1 GLYCOLIPIDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR USE IN THERAPY THE UNIVERSITY OF NOTTINGHAM (GB) 2017-09-28 — — 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-20170275323-A1 GLYCOLIPIDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR USE IN THERAPY CPT1B, HTT, GBA1 THRB 1551/4885CYP2D6 3338/4885HSD17B10 75/4885

“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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