SCHEMBL1308753

SCHEMBL1308753

[C]#CCc1cc2ccccc2[nH]1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.58
AHR P35869 2/20 0.46
HRH3 Q9Y5N1 1/20 0.46
HRH4 Q9H3N8 1/20 0.45
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
AOC3 Q16853 2/20 0.44
OPRK1 P41145 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 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
SCHEMBL347687 0.85 LOXL2 (0.58) LOXL2AHRHRH3HRH4MTNR1A
SCHEMBL396373 0.81 LOXL2 (0.58) LOXL2AHRHRH3HRH4MTNR1A
SCHEMBL29851915 0.81 LOXL2 (0.58) LOXL2AHRHRH3HRH4MTNR1A
SCHEMBL30939452 0.81 LOXL2 (0.58) LOXL2AHRHRH3HRH4MTNR1A
SCHEMBL5262099 0.81 LOXL2 (0.58) LOXL2AHRHRH3HRH4MTNR1A
Methane SCHEMBL29165338 0.79 LOXL2 (0.56) LOXL2AHRHRH3HRH4MTNR1A
SCHEMBL31230610 0.78 LOXL2 (0.55) LOXL2AHRHRH3HRH4MTNR1A
SCHEMBL7169246 0.77 LOXL2 (0.69) LOXL2AHRHRH3HRH4MTNR1A
SCHEMBL31059889 0.77 LOXL2 (0.69) LOXL2AHRHRH3HRH4MTNR1A
SCHEMBL401081 0.77 LOXL2 (0.69) LOXL2AHRHRH3HRH4MTNR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8450525-B2 Histone deacetylase inhibitors ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2013-05-28 US claimed
US-20100298402-A1 STILBENE DERIVATIVES AS PSTAT3/IL-6 INHIBITORS ORCHID RESEARCH LABORATORIES LIMITED (IN) 2010-11-25 US claimed
US-20100291003-A1 HISTONE DEACETYLASE INHIBITORS ORCHID RESEARCH LABORATORIES LIMITED (IN) 2010-11-18 US claimed
EP-2209765-A2 HISTONE DEACETYLASE INHIBITORS Orchid Research Laboratories Limited (IN) 2010-07-28 EP claimed
WO-2009060282-A2 STILBENE DERIVATIVES AS PSTAT3/IL-6 INHIBITORS ORCHID RESEARCH LABORATORIES LIMITED (IN) 2009-05-14 WO claimed
WO-2009053808-A2 HISTONE DEACETYLASE INHIBITORS ORCHID RESEARCH LABORATORIES LIMITED (IN) 2009-04-30 WO claimed
US-8053598-B2 Compounds, their preparation and use HIGH POINT PHARMACEUTICALS, LLC (US) 2011-11-08 US disclosed
EP-1745014-B1 NOVEL COMPOUNDS, THEIR PREPARATION AND USE HIGH POINT PHARMACEUTICALS LLC (US) 2011-07-06 EP disclosed
US-20090012171-A1 Novel Compounds, Their Preparation and Use NOVO NORDISK A/S (CZ) 2009-01-08 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 (3 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-20100291003-A1 HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC11, HDAC5 LOXL2 3500/4885AHR 402/4885HRH3 457/4885
US-20100298402-A1 STILBENE DERIVATIVES AS PSTAT3/IL-6 INHIBITORS IL6, IL6ST, STAT3 LOXL2 3001/4885AHR 1967/4885HRH3 4037/4885
US-20090012171-A1 Novel Compounds, Their Preparation and Use PPARG, PPARD, PPARA LOXL2 2679/4885AHR 1215/4885HRH3 2760/4885

“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.