SCHEMBL5886532

SCHEMBL5886532

CC(C)(C)C#Cc1ccco1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.39
TP53 P04637 1/20 0.36
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
MAPT P10636 1/20 0.31
TSHR P16473 1/20 0.30

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
SCHEMBL1799185 0.78 ALOX5 (0.43) ALOX5TP53MEN1KMT2AMAPT
SCHEMBL11911410 0.75
SCHEMBL5517928 0.74 ALOX5 (0.44) ALOX5TP53MEN1KMT2AMAPT
SCHEMBL2590915 0.73 ALOX5 (0.41) ALOX5TP53MEN1KMT2AMAPT
SCHEMBL8026472 0.71 RARB (0.46) ALOX5TP53MEN1KMT2AMAPT
SCHEMBL28050574 0.70
SCHEMBL1048506 0.70
SCHEMBL18244837 0.70
SCHEMBL7109005 0.70
SCHEMBL12394781 0.70 ALOX5 (0.54) ALOX5TP53

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-7105707-B2 Process for preparing alkynyl-substituted aromatic and heterocyclic compounds PHARMACORE, INC. (US) 2006-09-12 US disclosed
US-20050137402-A1 Process for preparing alkynyl-substituted aromatic and heterocyclic compounds DSM N.V. (NL) 2005-06-23 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-20050137402-A1 Process for preparing alkynyl-substituted aromatic and heterocyclic compounds NAT1, B3GNT2, NISCH ALOX5 1800/4885TP53 2260/4885MEN1 119/4885

“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.