SCHEMBL4170837

SCHEMBL4170837

CC(C)(C)C(=O)CCCC1CCOCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
HPGD P15428 1/20 0.41
PKM P14618 1/20 0.40
MEN1 O00255 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
NAAA Q02083 2/20 0.37
PTGS1 P23219 5/20 0.36
PTGS2 P35354 5/20 0.36
ALDH1A1 P00352 1/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
RIPK1 Q13546 1/20 0.33
ALOX5 P09917 1/20 0.33
MAPT P10636 1/20 0.33
CYP1A2 P05177 1/20 0.33
S1PR5 Q9H228 1/20 0.32
DAO P14920 1/20 0.32
PIK3CD O00329 1/20 0.32
FAAH O00519 2/20 0.32

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
SCHEMBL4166505 0.88 HPGD (0.36) POLBHPGDPKMMEN1HTT
SCHEMBL4179282 0.82 CYP1A2 (0.48) HPGDCYP1A2
SCHEMBL765644 0.82 POLB (0.41) POLBHPGDPKMMEN1HTT
SCHEMBL4170832 0.80 S1PR5 (0.43) POLBHPGDPKMMEN1KMT2A
SCHEMBL14321921 0.80 POLB (0.39) POLBHPGDPKMMEN1HTT
SCHEMBL26723255 0.78 GNAI3 (0.48) ALDH1A1RIPK1FAAH
SCHEMBL13727465 0.78 LIPA (0.42) POLBHPGDPKMMEN1HTT
SCHEMBL13246790 0.77 KDM5A (0.47) HPGDMEN1KMT2ANAAACYP1A2
SCHEMBL9964629 0.77 KDM5A (0.49) HPGDMEN1KMT2ANAAACYP1A2
SCHEMBL13246740 0.77 MAPT (0.40) PTGS1PTGS2ALOX5MAPTFAAH

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 POLB 3438/4885HPGD 1505/4885PKM 3808/4885

“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.