SCHEMBL5423751

SCHEMBL5423751

CC(C)Oc1ccc(Oc2ccc(Br)cn2)cn1

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ACACB O00763 18/20 0.46
ACACA Q13085 12/20 0.46
ALDH1A1 P00352 1/20 0.41
THRB P10828 1/20 0.40

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
SCHEMBL5943065 0.89 ACACB (0.51) ACACBACACAALDH1A1THRB
SCHEMBL1547410 0.89 ACACB (0.53) ACACBACACAALDH1A1
SCHEMBL735634 0.88 ALDH1A1 (0.49) ACACBACACAALDH1A1
SCHEMBL4686712 0.85 ACACB (0.54) ACACBACACATHRB
SCHEMBL5942931 0.79 RAB9A (0.43) ACACBACACATHRB
SCHEMBL29693773 0.76 RAB9A (0.47) ALDH1A1THRB
SCHEMBL16838789 0.76 RAB9A (0.47) ALDH1A1THRB
SCHEMBL29693760 0.76 KDM4E (0.58) ALDH1A1THRB
SCHEMBL8332212 0.76 KDM4E (0.58) ALDH1A1THRB
SCHEMBL27681568 0.75 ALDH1A1 (0.47) ACACBACACAALDH1A1

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-8748627-B2 Acetyl-CoA carboxylase (ACC) inhibitors and their use in diabetes, obesity and metabolic syndrome ABBVIE INC. (US) 2014-06-10 US disclosed
US-20070225332-A1 NOVEL ACETYL-COA CARBOXYLASE (ACC) INHIBITORS AND THEIR USE IN DIABETES, OBESITY AND METABOLIC SYNDROME ABBVIE INC. 2007-09-27 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-20070225332-A1 NOVEL ACETYL-COA CARBOXYLASE (ACC) INHIBITORS AND THEIR USE IN DIABETES, OBESITY AND METABOLIC SYNDROME ACACA, ACACB, ACAT1 ACACB 2/4885ACACA 1/4885ALDH1A1 330/4885

“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.