SCHEMBL4432850

SCHEMBL4432850

CC(C)(C)C#C/C=C/CO

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.34
ADRA2A P08913 1/20 0.34
CYP2D6 P10635 1/20 0.34
SLC6A2 P23975 1/20 0.34
SQLE Q14534 1/20 0.34
SIGMAR1 Q99720 1/20 0.34

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
SCHEMBL4432851 1.00 LMNA (0.34) LMNAADRA2ACYP2D6SLC6A2SQLE
SCHEMBL14110947 0.81 LMNA (0.33) LMNAADRA2ACYP2D6SLC6A2SQLE
SCHEMBL3142339 0.75 LMNA (0.34) LMNAADRA2ACYP2D6SLC6A2SQLE
SCHEMBL2770183 0.75 LMNA (0.37) LMNAADRA2ACYP2D6SLC6A2SQLE
SCHEMBL3142336 0.75 LMNA (0.34) LMNAADRA2ACYP2D6SLC6A2SQLE
SCHEMBL2770182 0.75 LMNA (0.37) LMNAADRA2ACYP2D6SLC6A2SQLE
SCHEMBL9633566 0.75 LMNA (0.34) LMNAADRA2ACYP2D6SLC6A2SQLE
SCHEMBL5168918 0.71 LMNA (0.36) LMNAADRA2ACYP2D6SLC6A2SQLE
SCHEMBL5168914 0.71 LMNA (0.36) LMNAADRA2ACYP2D6SLC6A2SQLE
SCHEMBL5168923 0.71 LMNA (0.33) LMNAADRA2ACYP2D6SLC6A2SQLE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2121572-A2 PREPARATION AND UTILITY OF SUBSTITUTED ALLYLAMINES Auspex Pharmaceuticals Inc. (US) 2009-11-25 EP disclosed
US-20080167312-A1 PREPARATION AND UTILITY OF SUBSTITUTED ALLYLAMINES AUSPEX PHARMACEUTICALS, INC. (US) 2008-07-10 US disclosed
WO-2008073863-A2 PREPARATION AND UTILITY OF SUBSTITUTED ALLYLAMINES AUSPEX PHARMACEUTICALS, INC. (US) 2008-06-19 WO disclosed
US-4751245-A Antifungal derivatives of N-(6,6-dimethyl-2-hepten-4-ynyl)-1-naphthalenemethanamine and method of using same E. R. SQUIBB & SONS, INC. (US) 1988-06-14 US disclosed
EP-0251574-A2 Antifungal derivatives of N-(6,6-dimethyl-2-hepten-4-ynyl)-1-naphthalenemethanamine and method of using same E.R. Squibb & Sons, Inc. (US) 1988-01-07 EP 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-20080167312-A1 PREPARATION AND UTILITY OF SUBSTITUTED ALLYLAMINES UGT1A7, UGT2B7, UGT1A10 LMNA 974/4885ADRA2A 29/4885CYP2D6 32/4885

“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.