SCHEMBL2853430

SCHEMBL2853430

CCCCc1ccc(C#Cc2ccc(CNC3CCCc4ccc(C(=O)OC)cc43)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TAOK1 Q7L7X3 8/20 0.48
TAOK3 Q9H2K8 6/20 0.48
KDM4E B2RXH2 3/20 0.46
CTSD P07339 1/20 0.44
BACE1 P56817 1/20 0.44
CYP4A11 Q02928 2/20 0.39
MDH1 P40925 1/20 0.39
ALDH1A1 P00352 1/20 0.39
ACHE P22303 2/20 0.39
CYP4F2 P78329 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
SCHEMBL13711650 0.92 TAOK1 (0.50) TAOK1TAOK3KDM4ECTSDBACE1
SCHEMBL2857395 0.91 KDM4E (0.48) TAOK1TAOK3KDM4ECTSDBACE1
SCHEMBL2855184 0.88 KDM4E (0.46) KDM4ECTSDBACE1ALDH1A1ACHE
SCHEMBL13711749 0.79 KDM4E (0.48) KDM4ECTSDBACE1ALDH1A1
SCHEMBL2858467 0.77 SSTR3 (0.48) KDM4ECTSDBACE1ALDH1A1
SCHEMBL2858230 0.76 TAOK1 (0.38) TAOK1TAOK3CYP4A11MDH1CYP4F2
SCHEMBL5598085 0.76 KDM4E (0.41) TAOK1TAOK3KDM4ECTSDBACE1
SCHEMBL1813169 0.75 CYP4A11 (0.62) CYP4A11MDH1ALDH1A1CYP4F2
SCHEMBL2853542 0.74 CYP4A11 (0.55) CYP4A11MDH1CYP4F2
SCHEMBL27920400 0.71 ACHE (0.58) ACHE

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
EP-1654247-B1 ALKYNYL ARYL CARBOXAMIDES MERCK SERONO SA (CH) 2010-01-20 EP claimed
US-20070105913-A1 Alkynyl aryl carboxamides APPLIED RESEARCH SYSTEMS ARS HOLDINGS N.V. (NL) 2007-05-10 US claimed
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-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
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 TAOK1 3737/4885TAOK3 3756/4885KDM4E 1973/4885

“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.