SCHEMBL12656223

SCHEMBL12656223

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

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LTB4R2 Q9NPC1 8/20 0.53
RARB P10826 3/20 0.49
RARA P10276 1/20 0.49
RARG P13631 1/20 0.49
STAT3 P40763 5/20 0.47
PTPN11 Q06124 1/20 0.43
PTPRO Q16827 1/20 0.43
EIF4A1 P60842 2/20 0.43
AKR1C2 P52895 1/20 0.43
AKR1C1 Q04828 1/20 0.43

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
SCHEMBL1814431 0.91 PTPN11 (0.55) LTB4R2RARBRARARARGSTAT3
SCHEMBL12655722 0.90 LTB4R2 (0.45) LTB4R2RARBRARARARGSTAT3
SCHEMBL12655979 0.83 LTB4R2 (0.45) LTB4R2RARBRARARARGSTAT3
SCHEMBL13711681 0.82 LTB4R2 (0.54) LTB4R2RARBRARARARGSTAT3
SCHEMBL1812005 0.82 PTPN11 (0.47) LTB4R2STAT3PTPN11PTPRO
SCHEMBL12655707 0.82 RARB (0.56) LTB4R2RARBRARARARGSTAT3
SCHEMBL12655959 0.79 PTPN11 (0.67) LTB4R2RARBRARARARGSTAT3
SCHEMBL12656209 0.79 PTPN11 (0.53) LTB4R2RARBRARARARGSTAT3
SCHEMBL12655711 0.78 RARB (0.52) LTB4R2RARBRARARARGSTAT3
SCHEMBL13711731 0.78 LTB4R2 (0.51) LTB4R2RARBRARARARGSTAT3

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 LTB4R2 2563/4885RARB 2507/4885RARA 3296/4885

“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.