SCHEMBL20626497

SCHEMBL20626497

CC(=O)OCC1OC2NC2C(OCc2ccccc2)C1OC1OC(CO)C(O)C(OCc2ccccc2)C1OC(C)=O

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.44
▸ LGALS8 O00214 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ KMT2A Q03164 1/20 0.43
▸ PRKCA P17252 1/20 0.42
▸ AKT1 P31749 1/20 0.42
▸ PTK2 Q05397 1/20 0.42
▸ SLC6A2 P23975 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ CA1 P00915 8/20 0.41
▸ CA2 P00918 8/20 0.41
▸ CA9 Q16790 8/20 0.41
▸ CA12 O43570 7/20 0.41
▸ PAX8 Q06710 1/20 0.41
▸ LGALS9 O00182 1/20 0.41

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
SCHEMBL15952735 0.87 CYP2D6 (0.50) LMNALGALS8CYP2D6ALDH1A1MAPK1
SCHEMBL15952732 0.87 CYP2D6 (0.50) LMNALGALS8CYP2D6ALDH1A1MAPK1
SCHEMBL24086077 0.82 TSHR (0.47) LMNACYP2D6ALDH1A1MAPK1KMT2A
SCHEMBL7563759 0.81 LGALS8 (0.51) LMNALGALS8CYP2D6ALDH1A1MAPK1
SCHEMBL12917696 0.80 LGALS8 (0.54) LMNALGALS8CYP2D6ALDH1A1MAPK1
SCHEMBL8328074 0.80 LGALS8 (0.54) LMNALGALS8CYP2D6ALDH1A1MAPK1
SCHEMBL970381 0.80 LGALS8 (0.54) LMNALGALS8CYP2D6ALDH1A1MAPK1
SCHEMBL8328068 0.80 LGALS8 (0.54) LMNALGALS8CYP2D6ALDH1A1MAPK1
SCHEMBL970383 0.80 LGALS8 (0.54) LMNALGALS8CYP2D6ALDH1A1MAPK1
SCHEMBL29709612 0.80 LMNA (0.58) LMNACYP2D6ALDH1A1MAPK1KMT2A

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-10174132-B2 Heparan sulfate synthesis UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2019-01-08 — — 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-10174132-B2 Heparan sulfate synthesis HPSE, STT3B, DDOST LMNA 4330/4885LGALS8 168/4885CYP2D6 2403/4885

“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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