SCHEMBL1815649

SCHEMBL1815649

CCCCCCNCc1ccccc1C#Cc1ccc(CCCC)cc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 4/20 0.47
SIGMAR1 Q99720 3/20 0.44
S1PR1 P21453 7/20 0.43
S1PR3 Q99500 7/20 0.43
S1PR2 O95136 5/20 0.43
S1PR4 O95977 3/20 0.43
HRH4 Q9H3N8 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
LMNA P02545 1/20 0.42
LPAR2 Q9HBW0 2/20 0.41
S1PR5 Q9H228 1/20 0.41
CHRM2 P08172 1/20 0.41
MPO P05164 1/20 0.41

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
SCHEMBL1810044 0.84 HRH4 (0.60) SIGMAR1S1PR1S1PR3S1PR2S1PR4
Hexane SCHEMBL27681135 0.80 FFAR1 (0.52) FFAR1S1PR1CHRM2
SCHEMBL10591869 0.79 FFAR1 (0.51) FFAR1S1PR1CHRM2
SCHEMBL12626714 0.79 SIGMAR1 (0.58) SIGMAR1S1PR1S1PR3S1PR2S1PR4
SCHEMBL9784433 0.74 HRH4 (0.72) SIGMAR1S1PR1S1PR3S1PR2S1PR4
SCHEMBL8456419 0.74 FFAR1 (0.59) FFAR1S1PR1LMNACHRM2
SCHEMBL9327876 0.74 HSD17B10 (0.62) FFAR1S1PR1S1PR3S1PR4LMNA
SCHEMBL9328440 0.74 HSD17B10 (0.62) FFAR1S1PR1S1PR3S1PR4LMNA
SCHEMBL9329750 0.74 HSD17B10 (0.62) FFAR1S1PR1S1PR3S1PR4LMNA
SCHEMBL9285501 0.74 CHRM2 (0.63) CHRM2

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 7 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-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-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
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
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
CN-1997638-A 1, 1' - (1, 2-acetylenediyl) bis-benzene derivatives as PTP 1-B inhibitors APPLIED RESEARCH SYSTEMS (AN) 2007-07-11 CN 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 FFAR1 293/4885SIGMAR1 3921/4885S1PR1 3302/4885

“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.