SCHEMBL12001074

SCHEMBL12001074

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

nearest known ligand 0.80

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 15/20 0.80
▸ ACACA Q13085 7/20 0.52
▸ PLK1 P53350 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ MAPT P10636 1/20 0.45

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
SCHEMBL29675650 0.96 ACACB (0.86) ACACBACACAPLK1KDM4EHTT
SCHEMBL256438 0.89 ACACB (1.00) ACACBPLK1
SCHEMBL12001190 0.83 ACACB (0.68) ACACBSMN1; SMN2GAAMAPT
SCHEMBL12001062 0.81 ACACB (0.81) ACACBACACAPLK1KDM4EHTT
SCHEMBL255804 0.81 ACACB (0.81) ACACBACACAPLK1ALDH1A1GAA
SCHEMBL469916 0.78 ACACB (0.50) ACACBACACAPLK1SMN1; SMN2ALDH1A1
SCHEMBL256437 0.77 ACACB (1.00) ACACB
SCHEMBL15577932 0.76 ACACB (0.49) ACACBKDM4EHTTSMN1; SMN2ALDH1A1
SCHEMBL27254652 0.76 ACACB (0.54) ACACBSMN1; SMN2GAAMAPT
SCHEMBL15578173 0.75 KDM4E (0.52) ACACBKDM4EHTTSMN1; SMN2ALDH1A1

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 1 patent. 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

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 1796/4885PLK1 922/4885

“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.

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