SCHEMBL13397249

SCHEMBL13397249

CC(C)(C)n1ccc2c1CCCC2=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 2/20 0.42
PLK1 P53350 1/20 0.42
PLK3 Q9H4B4 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.40
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
PABPC1 P11940 1/20 0.40
TSHR P16473 1/20 0.40
LMNA P02545 4/20 0.39
BRD4 O60885 1/20 0.38
BUB1 O43683 1/20 0.38
MAOA P21397 2/20 0.36
MAOB P27338 2/20 0.36
CYP2A6 P11509 1/20 0.36
GAA P10253 1/20 0.36
HTT P42858 3/20 0.35
HPGD P15428 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 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
SCHEMBL1266405 0.76 CSNK2A1 (0.50) CSNK2A1PLK1PLK3SMN1; SMN2ALDH1A1
SCHEMBL1692228 0.74 BUB1 (0.65) CSNK2A1PLK1PLK3SMN1; SMN2ALDH1A1
SCHEMBL23346919 0.73
SCHEMBL31471536 0.72 CSNK2A1 (0.42) CSNK2A1PLK1PLK3SMN1; SMN2ALDH1A1
SCHEMBL13422040 0.72 CSNK2A1 (0.42) CSNK2A1PLK1PLK3SMN1; SMN2ALDH1A1
SCHEMBL31471533 0.72 CSNK2A1 (0.42) CSNK2A1PLK1PLK3SMN1; SMN2ALDH1A1
SCHEMBL31471525 0.72 CSNK2A1 (0.42) CSNK2A1PLK1PLK3SMN1; SMN2ALDH1A1
SCHEMBL13415965 0.71 BRD4 (0.44) CSNK2A1PLK1PLK3SMN1; SMN2ALDH1A1
SCHEMBL13415967 0.71 CSNK2A1 (0.43) CSNK2A1PLK1PLK3SMN1; SMN2ALDH1A1
SCHEMBL13477016 0.71 HPGD (0.43) CSNK2A1PLK1PLK3SMN1; SMN2ALDH1A1

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
US-20100105680-A1 SUBSTITUTED DIMETHYLCYCLOBUTYL COMPOUNDS, THEIR PREPARATION AND USE IN MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2010-04-29 US disclosed
US-7652035-B2 CRF receptor antagonists and methods relating thereto Neurocrine Bioscience, Inc. (US) 2010-01-26 US disclosed
US-7652035-B2 CRF receptor antagonists and methods relating thereto Neurocrine Bioscience, Inc. (US) 2010-01-26 US disclosed
US-20080064719-A1 Crf Receptor Antagonists And Methods Relating Thereto SMITHKLINE BEECHAM (CORK) LIMITED (IE) 2008-03-13 US disclosed
US-20080064719-A1 Crf Receptor Antagonists And Methods Relating Thereto SMITHKLINE BEECHAM (CORK) LIMITED (IE) 2008-03-13 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 (2 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-20080064719-A1 Crf Receptor Antagonists And Methods Relating Thereto CRHR1, CRHR2, SCTR CSNK2A1 2539/4885PLK1 4824/4885PLK3 4664/4885
US-20100105680-A1 SUBSTITUTED DIMETHYLCYCLOBUTYL COMPOUNDS, THEIR PREPARATION AND USE IN MEDICAMENTS SIGMAR1, TMEM97, OPRK1 CSNK2A1 71/4885PLK1 4859/4885PLK3 3906/4885

“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.