SCHEMBL4172444

SCHEMBL4172444

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

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 11/20 0.32
PIK3CD O00329 1/20 0.32
CNR1 P21554 7/20 0.32
POLB P06746 1/20 0.31
HPGD P15428 1/20 0.31
GCK P35557 1/20 0.31
RIPK1 Q13546 1/20 0.31
PKM P14618 1/20 0.31
MEN1 O00255 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 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
SCHEMBL4168739 0.85 GCK (0.34) CNR2PIK3CDCNR1GCKRIPK1
SCHEMBL4161910 0.83 METAP1 (0.42) POLBHPGDPKMMEN1HTT
SCHEMBL14347430 0.76 CNR2 (0.33) CNR2CNR1
SCHEMBL14374851 0.75 CNR2 (0.32) CNR2CNR1POLBHPGDPKM
SCHEMBL2201094 0.72 PIK3CD (0.35) PIK3CD
SCHEMBL4166505 0.71 HPGD (0.36) CNR2PIK3CDCNR1POLBHPGD
SCHEMBL13727465 0.69 LIPA (0.42) CNR2PIK3CDCNR1POLBHPGD
SCHEMBL12091439 0.68 PIK3CD (0.39) PIK3CDGCK
SCHEMBL4170837 0.68 POLB (0.41) CNR2PIK3CDCNR1POLBHPGD
SCHEMBL105008 0.68 PIK3CD (0.47) PIK3CD

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 CNR2 173/4885PIK3CD 3777/4885CNR1 78/4885

“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.