SCHEMBL255804

SCHEMBL255804

CCCOc1ccc(-c2ccc(CC(C)(C)NC(C)=O)cc2)cc1

nearest known ligand 0.81

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 14/20 0.81
▸ ALDH1A1 P00352 3/20 0.51
▸ LMNA P02545 2/20 0.51
▸ ACACA Q13085 4/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ PLK1 P53350 1/20 0.44
▸ GAA P10253 1/20 0.43
▸ MAPT P10636 1/20 0.43

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
SCHEMBL256334 0.90 ACACB (1.00) ACACBALDH1A1LMNA
SCHEMBL12001318 0.84 ACACB (0.83) ACACBALDH1A1LMNAACACAL3MBTL1
SCHEMBL12001074 0.81 ACACB (0.80) ACACBALDH1A1ACACAPLK1GAA
SCHEMBL21160945 0.79 ACACB (0.59) ACACBALDH1A1LMNAL3MBTL1
SCHEMBL16341200 0.78 ACACB (0.60) ACACBL3MBTL1
SCHEMBL564817 0.76 ACACB (0.57) ACACBALDH1A1L3MBTL1PLK1
SCHEMBL29675650 0.76 ACACB (0.86) ACACBALDH1A1ACACAL3MBTL1PLK1
SCHEMBL22066521 0.75 LMNA (0.55) ACACBALDH1A1LMNAACACAL3MBTL1
SCHEMBL14951697 0.75 ACACB (0.57) ACACBALDH1A1LMNAL3MBTL1PLK1
SCHEMBL12001375 0.75 ACACB (0.80) ACACBALDH1A1LMNAACACAL3MBTL1

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 2257/4885ALDH1A1 1739/4885LMNA 2031/4885

“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.

Send feedback