SCHEMBL2853046

SCHEMBL2853046

C#CCCC(=O)N(Cc1ccc(C#Cc2ccc(CCCC)cc2)cc1)Cc1ccc(OC(C)=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.45
THRA P10827 1/20 0.45
ACACB O00763 8/20 0.41
PTPN11 Q06124 1/20 0.39
PTPRO Q16827 1/20 0.39
FFAR1 O14842 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
NCOR2 Q9Y618 1/20 0.38

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
SCHEMBL2853044 0.87 LTB4R2 (0.48) THRBTHRAACACBPTPN11PTPRO
SCHEMBL5497713 0.79 THRB (0.46) THRBTHRAACACBPTPN11PTPRO
SCHEMBL5507735 0.79 PTGES (0.54) THRBTHRAACACBPTPN11PTPRO
SCHEMBL1734728 0.75 LTB4R2 (0.53) THRBTHRAPTPN11PTPROFFAR1
SCHEMBL4055579 0.75 THRB (0.55) THRBACACB
SCHEMBL1415501 0.75 THRB (0.61) THRBTHRA
SCHEMBL5501954 0.75 PSMB5 (0.44) ACACBHDAC3HDAC1HDAC2HDAC6
SCHEMBL5986339 0.74 ACACB (0.41) THRBACACBPTPN11PTPRO
SCHEMBL2858113 0.74 PTPN11 (0.47) PTPN11PTPROFFAR1FFAR4HDAC3
SCHEMBL2878215 0.74 LTB4R2 (0.50) FFAR1FFAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1654247-B1 ALKYNYL ARYL CARBOXAMIDES MERCK SERONO SA (CH) 2010-01-20 EP disclosed
US-7589232-B2 Alkynyl aryl carboxamides LABORATORIES SERONO S.A. (CH) 2009-09-15 US disclosed
US-20070105913-A1 Alkynyl aryl carboxamides APPLIED RESEARCH SYSTEMS ARS HOLDINGS N.V. (NL) 2007-05-10 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-20070105913-A1 Alkynyl aryl carboxamides ECHS1, IRS1, HCCS THRB 1963/4885THRA 1634/4885ACACB 105/4885

“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.