SCHEMBL4166505

SCHEMBL4166505

CC(C)(C)C(=O)CCC1CCOCC1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.36
POLB P06746 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CNR2 P34972 4/20 0.35
CNR1 P21554 3/20 0.35
RIPK1 Q13546 1/20 0.35
PKM P14618 1/20 0.35
MEN1 O00255 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
DAO P14920 1/20 0.33
PIK3CD O00329 1/20 0.33
NAAA Q02083 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NAMPT P43490 1/20 0.32
HSD11B1 P28845 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
SCHEMBL4170837 0.88 POLB (0.41) HPGDPOLBALDH1A1CNR2CNR1
SCHEMBL10579002 0.87 LIPA (0.37) HPGDALDH1A1MEN1KMT2AHSD11B1
SCHEMBL17445694 0.83 HPGD (0.42) HPGDALDH1A1MEN1HTTKMT2A
SCHEMBL13543224 0.83 HPGD (0.47) HPGDALDH1A1MEN1HTTKMT2A
SCHEMBL13727465 0.81 LIPA (0.42) HPGDPOLBCNR2CNR1RIPK1
SCHEMBL4178019 0.81 HPGD (0.50) HPGDALDH1A1PKMMEN1HTT
SCHEMBL4171831 0.78 GLA (0.41) HPGDPOLBALDH1A1DAONAAA
SCHEMBL2657376 0.77 KDM4E (0.38) HPGDPOLBALDH1A1CNR2CNR1
SCHEMBL1067772 0.76 GLA (0.45) HPGDALDH1A1MEN1KMT2ANAAA
SCHEMBL26723251 0.76 GNAI3 (0.46) ALDH1A1RIPK1HSD11B1

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
US-8236841-B2 Fused heterocycle derivative KYOWA HAKKO KIRIN CO., LTD. (JP) 2012-08-07 US disclosed
US-20090239853-A1 Fused heterocycle derivative KYOWA KIRIN CO., LTD. (JP) 2009-09-24 US disclosed
EP-2070927-A1 FUSED HETEROCYCLIC DERIVATIVE Kyowa Hakko Kirin Co., Ltd. (JP) 2009-06-17 EP 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-20090239853-A1 Fused heterocycle derivative NR5A2, CBR3, NR3C2 HPGD 1505/4885POLB 3438/4885ALDH1A1 2211/4885

“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.