SCHEMBL12656209

SCHEMBL12656209

CCCCc1ccc(-c2ccc(CN(CCC(C)(C)C)c3ccc(F)c(C(=O)O)c3)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.53
PTPRO Q16827 1/20 0.53
RARB P10826 7/20 0.50
RARA P10276 1/20 0.50
RARG P13631 1/20 0.50
LTB4R2 Q9NPC1 4/20 0.43
AKR1C2 P52895 1/20 0.43
AKR1C1 Q04828 1/20 0.43
STAT3 P40763 3/20 0.42
EIF4A1 P60842 3/20 0.41
BCL2L1 Q07817 1/20 0.40
MCL1 Q07820 1/20 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
SCHEMBL1733832 0.91 PTPN11 (0.66) PTPN11PTPRORARBRARARARG
SCHEMBL12655959 0.89 PTPN11 (0.67) PTPN11PTPRORARBRARARARG
SCHEMBL12656000 0.84 PTPN11 (0.61) PTPN11PTPRORARBRARARARG
SCHEMBL12655711 0.83 RARB (0.52) PTPN11PTPRORARBRARARARG
SCHEMBL13711681 0.83 LTB4R2 (0.54) PTPN11PTPRORARBRARARARG
SCHEMBL12655707 0.83 RARB (0.56) PTPN11PTPRORARBRARARARG
SCHEMBL12656099 0.83 LTB4R2 (0.53) PTPN11PTPRORARBRARARARG
SCHEMBL12656103 0.82 PTPN11 (0.53) PTPN11PTPRORARBRARARARG
SCHEMBL12655967 0.82 RARB (0.50) PTPN11PTPRORARBRARARARG
SCHEMBL12626836 0.82 PTPN11 (0.63) PTPN11PTPRORARBRARARARG

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 4/4885RARB 2507/4885

“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.