SCHEMBL17623736

SCHEMBL17623736

CCN1CCN(CC2(O)CCOCC2)CC1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HTR4 Q13639 9/20 0.34
GAA P10253 2/20 0.34
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CHRNA7 P36544 1/20 0.32
ALK Q9UM73 1/20 0.32
YEATS4 O95619 1/20 0.31
KCNH2 Q12809 1/20 0.31

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
SCHEMBL19888372 0.81 LMNA (0.37) POLBSMN1; SMN2ALDH1A1HTR4GAA
SCHEMBL17618014 0.80 HTR4 (0.35) POLBSMN1; SMN2ALDH1A1HTR4GAA
SCHEMBL23114423 0.77 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1GAATSHRKDM4E
SCHEMBL8293251 0.74 POLB (0.40) POLBSMN1; SMN2ALDH1A1HTR4MEN1
SCHEMBL23109019 0.74 GAA (0.39) POLBSMN1; SMN2ALDH1A1GAALMNA
SCHEMBL24859533 0.74 GAA (0.39) POLBSMN1; SMN2ALDH1A1GAALMNA
SCHEMBL3849249 0.73
SCHEMBL21214397 0.73 KMT2A (0.39) SMN1; SMN2GAATSHRKDM4EMEN1
SCHEMBL17693022 0.72 ALDH1A1 (0.44) POLBSMN1; SMN2ALDH1A1GAALMNA
SCHEMBL2010650 0.72 HTR4 (0.41) POLBSMN1; SMN2ALDH1A1HTR4ALK

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-20170152230-A9 NOVEL COMPOUNDS FOR SELECTIVE HISTONE DEACETYLASE INHIBITORS, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2017-06-01 US disclosed
US-20160083354-A1 NOVEL COMPOUNDS FOR SELECTIVE HISTONE DEACETYLASE INHIBITORS, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHONG KUN DANG PHARM CORP (KR) 2016-03-24 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-20160083354-A1 NOVEL COMPOUNDS FOR SELECTIVE HISTONE DEACETYLASE INHIBITORS, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME HDAC1, HDAC5, HDAC4 POLB 829/4885SMN1; SMN2 939/4885ALDH1A1 1381/4885
US-20170152230-A9 NOVEL COMPOUNDS FOR SELECTIVE HISTONE DEACETYLASE INHIBITORS, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME HDAC1, HDAC5, HDAC4 POLB 829/4885SMN1; SMN2 939/4885ALDH1A1 1381/4885

“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.