SCHEMBL1815749

SCHEMBL1815749

CCCCc1ccc(C#Cc2ccc(CN(CCCC3CCCC3)c3ccc(C(=O)O)c(O)c3)cc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.66
PTPRO Q16827 1/20 0.66
BCL2L1 Q07817 1/20 0.49
MCL1 Q07820 1/20 0.49
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
PPARA Q07869 1/20 0.42
STAT3 P40763 13/20 0.41
CNR2 P34972 1/20 0.37
MPL P40238 1/20 0.37

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
SCHEMBL1734788 0.87 PTPN11 (0.85) PTPN11PTPROBCL2L1MCL1KDM4E
SCHEMBL1815705 0.86 PTPN11 (0.48) PTPN11PTPROKDM4EALDH1A1POLB
SCHEMBL1733846 0.85 PTPN11 (0.51) PTPN11PTPROSTAT3
SCHEMBL1736063 0.80 PTPN11 (0.53) PTPN11PTPROSTAT3CNR2
SCHEMBL1733819 0.80 STAT3 (0.49) PTPN11PTPROSTAT3
SCHEMBL1733827 0.80 PTPN11 (1.00) PTPN11PTPROBCL2L1MCL1KDM4E
SCHEMBL1734802 0.80 PTPN11 (0.89) PTPN11PTPROBCL2L1MCL1KDM4E
SCHEMBL1733825 0.79 PTPN11 (0.58) PTPN11PTPROSTAT3CNR2
Hydrochloric Acid SCHEMBL1815540 0.79 PTPN11 (0.98) PTPN11PTPROBCL2L1MCL1KDM4E
SCHEMBL2848964 0.78 PTPN11 (0.60) PTPN11PTPROMCL1STAT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7947851-B2 1,1′-(1,2-ethynediyl)bis-benzene derivatives as PTP 1-B inhibitors MERCK SERONO SA (CH) 2011-05-24 US disclosed
US-20090029903-A1 1,1'-(1,2-Ethynediyl)Bis-Benzene Derivatives As Ptp 1-B Inhibitors MERCK SERONO SA (CH) 2009-01-29 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-20090029903-A1 1,1'-(1,2-Ethynediyl)Bis-Benzene Derivatives As Ptp 1-B Inhibitors PTPRS, PTPRZ1, PTP4A1 PTPN11 38/4885PTPRO 4/4885BCL2L1 665/4885

“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.