SCHEMBL255802

SCHEMBL255802

CCCOc1ccc(-c2ccc(C(C)CNC(=O)N(C)C)cc2)cc1

nearest known ligand 0.82

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ACACB O00763 19/20 0.82
ACACA Q13085 13/20 0.56

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
SCHEMBL168058 0.90 ACACB (1.00) ACACBACACA
SCHEMBL256524 0.86 ACACB (0.81) ACACBACACA
SCHEMBL12001320 0.83 ACACB (0.83) ACACBACACA
SCHEMBL255668 0.81 ACACB (0.59) ACACBACACA
SCHEMBL6783525 0.78 ACACB (0.58) ACACB
SCHEMBL163363 0.76 ACACB (1.00) ACACBACACA
SCHEMBL6783013 0.74 GRIA4 (0.59) ACACB
SCHEMBL256193 0.74 ACACB (1.00) ACACBACACA
SCHEMBL6788467 0.74 ACACB (0.55) ACACB
SCHEMBL255687 0.72 ACACB (0.51) ACACBACACA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120214785-A1 New compounds, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-23 US disclosed
WO-2012028676-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-03-08 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 (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-20120214785-A1 New compounds, pharmaceutical compositions and uses thereof ABCG2, PGA5, PDE6G ACACB 2257/4885ACACA 1796/4885

“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.