SCHEMBL4168739

SCHEMBL4168739

CC(C)(C)C(=O)C(Br)CC1CCOCC1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GCK P35557 4/20 0.34
USP30 Q70CQ3 1/20 0.33
PIK3CD O00329 1/20 0.33
CNR2 P34972 10/20 0.32
CNR1 P21554 6/20 0.32
CTSS P25774 1/20 0.32
RIPK1 Q13546 1/20 0.31
CTSD P07339 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
SCHEMBL4172444 0.85 CNR2 (0.32) GCKPIK3CDCNR2CNR1RIPK1
SCHEMBL4161903 0.82 CTSK (0.37) CTSS
SCHEMBL12091439 0.80 PIK3CD (0.39) GCKPIK3CDCTSD
SCHEMBL12469485 0.78 ALDH1A1 (0.38) PIK3CDCTSD
SCHEMBL1008853 0.76 ZDHHC7 (0.39) GCKPIK3CDCNR2CNR1CTSD
SCHEMBL2297433 0.75 ALDH1A1 (0.41) PIK3CD
SCHEMBL14930616 0.72 CTSS (0.40) GCKUSP30CNR2CNR1CTSS
SCHEMBL13727465 0.70 LIPA (0.42) PIK3CDCNR2CNR1RIPK1
SCHEMBL4166505 0.68 HPGD (0.36) PIK3CDCNR2CNR1RIPK1
SCHEMBL14347430 0.68 CNR2 (0.33) USP30CNR2CNR1

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 GCK 3223/4885USP30 4202/4885PIK3CD 3777/4885

“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.