SCHEMBL1306189

SCHEMBL1306189

CC(C)(C)N(C(=O)O)C1CCN(C2CC2)CC1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 4/20 0.35
CCR5 P51681 5/20 0.35
ALOX15 P16050 1/20 0.34
POLB P06746 1/20 0.34
L3MBTL3 Q96JM7 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SIGMAR1 Q99720 2/20 0.33
KCNH2 Q12809 2/20 0.32
HRH3 Q9Y5N1 1/20 0.31
OPRL1 P41146 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
SCHEMBL1306995 0.93 ALDH1A1 (0.42) ALDH1A1MEN1KMT2AKDM4EPOLB
SCHEMBL988772 0.93 ALDH1A1 (0.39) ALDH1A1MEN1KMT2AKDM4ECCR5
SCHEMBL1307534 0.90 CCR5 (0.35) ALDH1A1MEN1KMT2AKDM4ECCR5
SCHEMBL600511 0.89 ACACB (0.32) ALDH1A1MEN1KMT2AKDM4ECCR5
SCHEMBL4939731 0.89 HRH3 (0.37) ALDH1A1KDM4EHRH3
SCHEMBL2694217 0.88 MEN1 (0.38) MEN1KMT2AL3MBTL3L3MBTL1SIGMAR1
SCHEMBL2694220 0.88 MEN1 (0.38) MEN1KMT2AL3MBTL3L3MBTL1SIGMAR1
SCHEMBL601629 0.87 CHRM1 (0.35) ALDH1A1MEN1KMT2AKDM4EALOX15
SCHEMBL600683 0.87 CHRM1 (0.35) ALDH1A1MEN1KMT2AKDM4EALOX15
SCHEMBL600684 0.87 CHRM1 (0.35) ALDH1A1MEN1KMT2AKDM4EALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2913322-A2 Naphthalenyloxypropenyl derivatives having inhibitory activity against histone deacetylase and pharmaceutical composition comprising the same Korea Research Institute Of Chemical Technology (KR) 2015-09-02 EP disclosed
US-8053435-B2 Naphthalenyloxypropenyl derivatives having inhibitory activity against histone deacetylase and pharmaceutical composition comprising the same KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2011-11-08 US disclosed
US-20100069630-A1 NAPHTHALENYLOXYPROPENYL DERIVATIVES HAVING INHIBITORY ACTIVITY AGAINST HISTONE DEACETYLASE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2010-03-18 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-20100069630-A1 NAPHTHALENYLOXYPROPENYL DERIVATIVES HAVING INHIBITORY ACTIVITY AGAINST HISTONE DEACETYLASE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME HDAC1, HDAC3, HDAC11 ALDH1A1 673/4885MEN1 4379/4885KMT2A 111/4885

“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.