SCHEMBL12437162

SCHEMBL12437162

CCN(CC)C(CC(C)(C)C)c1ccco1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.37
GLA P06280 1/20 0.37
RECQL P46063 1/20 0.37
OPRM1 P35372 5/20 0.35
OPRD1 P41143 5/20 0.35
KMT2A Q03164 5/20 0.34
ALDH1A1 P00352 3/20 0.34
PKM P14618 2/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
TSHR P16473 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
ALOX5 P09917 1/20 0.33
HTT P42858 2/20 0.32
NPC1 O15118 1/20 0.32
RIPK1 Q13546 1/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
RAB9A P51151 1/20 0.32
KDM4E B2RXH2 2/20 0.31
POLB P06746 4/20 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
SCHEMBL12513463 0.79 HPGD (0.39) HPGDGLARECQLOPRM1OPRD1
SCHEMBL14062942 0.72 ALOX5 (0.37) HPGDGLARECQLKMT2AALDH1A1
SCHEMBL17829523 0.71 KMT2A (0.42) KMT2AALDH1A1PKMMEN1MAPT
SCHEMBL20993285 0.71 ALOX5 (0.36) HPGDGLARECQLKMT2AALDH1A1
SCHEMBL4837762 0.69 SLC6A2 (0.35) HPGDGLARECQLKMT2AALDH1A1
SCHEMBL20993510 0.69 TSHR (0.38) HPGDGLARECQLKMT2AALDH1A1
SCHEMBL9923033 0.68 OPRM1 (0.47) OPRM1OPRD1KMT2AALDH1A1HTT
SCHEMBL12437163 0.63 ALDH1A1 (0.46) GLAKMT2AALDH1A1MEN1MAPT
SCHEMBL8014934 0.63
SCHEMBL15195801 0.63 ALOX5 (0.36) HPGDGLARECQLKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110178066-A1 Hydroxypiperidine derivatives and uses thereof AVALON PHARMACEUTICALS 2011-07-21 US disclosed
US-20100249111-A1 MULTI-RING COMPOUNDS AND USES THEREOF AVALON PHARMACEUTICALS (US) 2010-09-30 US disclosed
US-20090036429-A1 Hydroxypiperidine Derivatives and Uses Thereof AVALON PHARMACEUTICALS 2009-02-05 US disclosed
WO-2007098086-A2 HYDROXYPIPERIDINE DERIVATIVES AND USES THEREOF AVALON PHARMACEUTICALS (US) 2007-08-30 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 (3 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-20100249111-A1 MULTI-RING COMPOUNDS AND USES THEREOF TP53, BCOR, HPGDS HPGD 59/4885GLA 771/4885RECQL 720/4885
US-20110178066-A1 Hydroxypiperidine derivatives and uses thereof HPGDS, HPGD, DPYD HPGD 2/4885GLA 841/4885RECQL 1949/4885
US-20090036429-A1 Hydroxypiperidine Derivatives and Uses Thereof HPGDS, HPGD, DPYD HPGD 2/4885GLA 841/4885RECQL 1949/4885

“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.