SCHEMBL18067736

SCHEMBL18067736

C[C@@H]1C(COC(=O)c2ccccc2)O[C@@H](O[C@@H]2C3CO[C@H](O3)C3O[C@@H]32)C(OC(=O)c2ccccc2)[C@H]1C

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.40
▸ POLB P06746 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ USP2 O75604 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ PTPN1 P18031 2/20 0.37
▸ GAPDH P04406 1/20 0.36
▸ BCHE P06276 4/20 0.36
▸ PPM1B O75688 1/20 0.36
▸ HRAS P01112 1/20 0.35
▸ F11 P03951 1/20 0.34
▸ ANTXR2 P58335 1/20 0.34
▸ HTT P42858 1/20 0.34

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
SCHEMBL18067749 1.00 ALDH1A1 (0.40) ALDH1A1POLBGAAMAPK1NPSR1
SCHEMBL16731402 0.90 PTPN1 (0.45) ALDH1A1POLBGAAMAPK1NPSR1
SCHEMBL18045630 0.90 PTPN1 (0.45) ALDH1A1POLBGAAMAPK1NPSR1
SCHEMBL20990763 0.88 LGALS3 (0.40) ALDH1A1POLBGAAMAPK1NPSR1
SCHEMBL20990765 0.88 LGALS3 (0.40) ALDH1A1POLBGAAMAPK1NPSR1
SCHEMBL8954414 0.84 UPP1 (0.42) ALDH1A1POLBGAAMAPK1NPSR1
SCHEMBL18067751 0.81 CYP2D6 (0.39) —
SCHEMBL18067731 0.81 CYP2D6 (0.39) —
SCHEMBL19036055 0.81 PTPN1 (0.50) ALDH1A1POLBMAPK1MEN1USP2
SCHEMBL18067737 0.81 PTPN1 (0.53) ALDH1A1POLBGAAMAPK1NPSR1

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-20160264609-A1 DISACCHARIDE INTERMEDIATE AND SYNTHESIS METHOD THEREOF ZHEJIANG HISUN PHARMACEUTICAL CO., LTD. (CN) 2016-09-15 — — 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-20160264609-A1 DISACCHARIDE INTERMEDIATE AND SYNTHESIS METHOD THEREOF SI, FUT5, HPSE ALDH1A1 1664/4885POLB 3363/4885GAA 101/4885

“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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