SCHEMBL4102364

SCHEMBL4102364

CC(C)CCC(=O)c1ccnc(C(C)(C)C)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.50
MEN1 O00255 1/20 0.50
MAPK1 P28482 1/20 0.50
KMT2A Q03164 1/20 0.50
SMN1; SMN2 Q16637 4/20 0.48
HTT P42858 2/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
TRPA1 O75762 1/20 0.48
ALDH1A1 P00352 4/20 0.47
L3MBTL1 Q9Y468 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TSHR P16473 1/20 0.40
CYP3A4 P08684 1/20 0.37
PRKCI P41743 1/20 0.36
PDE4D Q08499 1/20 0.36
ALOX5 P09917 1/20 0.35
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
ACHE P22303 1/20 0.35

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
SCHEMBL17207198 0.80 ALDH1A1 (0.56) LMNAMEN1MAPK1KMT2ASMN1; SMN2
SCHEMBL4106854 0.78 TRPA1 (0.49) LMNAMAPK1SMN1; SMN2NPC1RAB9A
SCHEMBL17207212 0.77 LMNA (0.48) LMNAMEN1MAPK1KMT2ASMN1; SMN2
SCHEMBL19006515 0.75 JMJD6 (0.56) LMNAMEN1MAPK1KMT2ASMN1; SMN2
SCHEMBL10202654 0.74 LMNA (0.58) LMNAMEN1MAPK1KMT2ASMN1; SMN2
SCHEMBL1759647 0.74 LMNA (0.62) LMNAMEN1MAPK1KMT2ASMN1; SMN2
SCHEMBL31085231 0.74 LMNA (0.58) LMNAMEN1MAPK1KMT2ASMN1; SMN2
SCHEMBL4112733 0.73 TRPA1 (0.44) LMNASMN1; SMN2HTTTRPA1ALDH1A1
SCHEMBL11347447 0.73 LMNA (0.56) LMNAMEN1MAPK1KMT2ASMN1; SMN2
SCHEMBL17207196 0.70 ALDH1A1 (0.59) LMNAMEN1MAPK1KMT2ASMN1; SMN2

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
US-8084471-B2 Proteomimetic compounds as inhibitors of the interaction of nuclear receptor with coactivator peptides YALE UNIVERSITY (US) 2011-12-27 US disclosed
US-8084471-B2 Proteomimetic compounds as inhibitors of the interaction of nuclear receptor with coactivator peptides YALE UNIVERSITY (US) 2011-12-27 US disclosed
US-8084471-B2 Proteomimetic compounds as inhibitors of the interaction of nuclear receptor with coactivator peptides YALE UNIVERSITY (US) 2011-12-27 US disclosed
US-20090220586-A1 PROTEOMIMETIC COMPOUNDS AS INHIBITORS OF THE INTERACTION OF NUCLEAR RECEPTOR WITH COACTIVATOR PEPTIDES YALE UNIVERSITY (US) 2009-09-03 US disclosed
US-20090220586-A1 PROTEOMIMETIC COMPOUNDS AS INHIBITORS OF THE INTERACTION OF NUCLEAR RECEPTOR WITH COACTIVATOR PEPTIDES YALE UNIVERSITY (US) 2009-09-03 US disclosed
US-20090220586-A1 PROTEOMIMETIC COMPOUNDS AS INHIBITORS OF THE INTERACTION OF NUCLEAR RECEPTOR WITH COACTIVATOR PEPTIDES YALE UNIVERSITY (US) 2009-09-03 US disclosed
WO-2008030408-A2 PROTEOMIMETIC COMPOUNDS AS INHIBITORS OF THE INTERACTION OF A NUCLEAR RECEPTOR WITH COACTIVATOR PEPTIDES YALE UNIVERSITY (US) 2008-03-13 WO 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-20090220586-A1 PROTEOMIMETIC COMPOUNDS AS INHIBITORS OF THE INTERACTION OF NUCLEAR RECEPTOR WITH COACTIVATOR PEPTIDES NCOA1, NCOA2, NCOA3 LMNA 3285/4885MEN1 3462/4885MAPK1 2424/4885

“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.