SCHEMBL14257938

SCHEMBL14257938

CC(=O)O[C@@H]1OC(COC(=O)c2cc(OCc3ccccc3)c(OCc3ccccc3)c(OCc3ccccc3)c2)[C@@H](OC(=O)c2cc(OCc3ccccc3)c(OCc3ccccc3)c(OCc3ccccc3)c2)C(OC(=O)c2cc(OCc3ccccc3)c(OCc3ccccc3)c(OCc3ccccc3)c2)[C@H]1OC(=O)c1cc(OCc2ccccc2)c(OCc2ccccc2)c(OCc2ccccc2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 4/20 0.52
▸ MAPK1 P28482 2/20 0.52
▸ TMPRSS2 O15393 1/20 0.52
▸ USP2 O75604 1/20 0.52
▸ PDE5A O76074 1/20 0.52
▸ CA1 P00915 1/20 0.52
▸ CA2 P00918 1/20 0.52
▸ HMGCR P04035 1/20 0.52
▸ CYP1A2 P05177 1/20 0.52
▸ LCK P06239 1/20 0.52
▸ FYN P06241 1/20 0.52
▸ HSPD1 P10809 1/20 0.52
▸ CYP2C9 P11712 1/20 0.52
▸ CA6 P23280 1/20 0.52
▸ TBXAS1 P24557 1/20 0.52
▸ MAPK3 P27361 1/20 0.52
▸ HSPE1 P61604 1/20 0.52
▸ MAPK14 Q16539 1/20 0.52
▸ TST Q16762 1/20 0.52
▸ SLCO1B3 Q9NPD5 1/20 0.52

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
SCHEMBL14257941 1.00 PTPN1 (0.52) PTPN1MAPK1TMPRSS2USP2PDE5A
SCHEMBL2229805 0.94 USP2 (0.58) PTPN1MAPK1TMPRSS2USP2PDE5A
SCHEMBL5664308 0.94 USP2 (0.58) PTPN1MAPK1TMPRSS2USP2PDE5A
SCHEMBL13286766 0.94 USP2 (0.58) PTPN1MAPK1TMPRSS2USP2PDE5A
SCHEMBL2980967 0.94 USP2 (0.58) PTPN1MAPK1TMPRSS2USP2PDE5A
SCHEMBL13286797 0.94 USP2 (0.58) PTPN1MAPK1TMPRSS2USP2PDE5A
SCHEMBL15262343 0.91 PTPN1 (0.53) PTPN1MAPK1TMPRSS2USP2PDE5A
SCHEMBL2228479 0.91 MAPK1 (0.54) PTPN1MAPK1TMPRSS2USP2PDE5A
SCHEMBL16253497 0.88 PTPN1 (0.50) PTPN1MAPK1TMPRSS2USP2PDE5A
SCHEMBL7454116 0.87 MAPK1 (0.50) PTPN1MAPK1TMPRSS2USP2PDE5A

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-20080070850-A1 GALLOTANNINS AND ELLIGITANNINS AS REGULATORS OF CYTOKINE RELEASE THE PENN STATE RESEARCH FOUNDATION (US) 2008-03-20 — — 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-20080070850-A1 GALLOTANNINS AND ELLIGITANNINS AS REGULATORS OF CYTOKINE RELEASE IL2, IL6, TNF PTPN1 1652/4885MAPK1 602/4885TMPRSS2 1495/4885

“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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