SCHEMBL4744709

SCHEMBL4744709

CC(C)Oc1ccc(Oc2ccc(C=O)cc2)cc1

nearest known ligand 0.88

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A3 P47895 1/20 0.88
ALDH1A1 P00352 2/20 0.52
CYP2A6 P11509 2/20 0.52
DRD1 P21728 1/20 0.52
PARP10 Q53GL7 2/20 0.50
PARP3 Q9Y6F1 1/20 0.50
KDM4E B2RXH2 2/20 0.47
LMNA P02545 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
TYR P14679 1/20 0.47
KMT2A Q03164 1/20 0.46
ACACB O00763 3/20 0.45
ACACA Q13085 3/20 0.45
SIRT2 Q8IXJ6 1/20 0.45
MMP2 P08253 1/20 0.42
MMP3 P08254 1/20 0.42
MMP9 P14780 1/20 0.42
MMP14 P50281 1/20 0.42
PNLIP P16233 1/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL384361 0.94 ALDH1A3 (1.00) ALDH1A3ALDH1A1CYP2A6DRD1PARP10
SCHEMBL3423566 0.88 ALDH1A3 (0.88) ALDH1A3ALDH1A1CYP2A6DRD1PARP10
SCHEMBL5050902 0.82 PARP10 (0.65) ALDH1A3ALDH1A1CYP2A6DRD1PARP10
SCHEMBL6282894 0.82 ALDH1A3 (0.56) ALDH1A3ALDH1A1PARP10KMT2AACACB
SCHEMBL1663469 0.82 PARP10 (0.65) ALDH1A3ALDH1A1CYP2A6DRD1PARP10
SCHEMBL14016002 0.81 ALDH1A3 (0.76) ALDH1A3ALDH1A1CYP2A6DRD1PARP10
Fluoromethane SCHEMBL28219755 0.81 ALDH1A1 (0.62) ALDH1A3ALDH1A1CYP2A6DRD1PARP10
SCHEMBL5420957 0.80 ALDH1A3 (0.62) ALDH1A3ALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL27232497 0.80 TYR (0.76) ALDH1A3ALDH1A1CYP2A6DRD1PARP10
SCHEMBL23558704 0.79 ALDH1A3 (0.56) ALDH1A3ALDH1A1CYP2A6DRD1PARP10

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 4 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
EP-1999119-A2 NOVEL ACETYL-COA CARBOXYLASE (ACC) INHIBITORS AND THEIR USE IN DIABETES, OBESITY AND METABOLIC SYNDROME Abbott Laboratories (US) 2008-12-10 EP 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
WO-2007095602-A2 NOVEL ACETYL-COA CARBOXYLASE (ACC) INHIBITORS AND THEIR USE IN DIABETES, OBESITY AND METABOLIC SYNDROME ABBOTT LABORATORIES (US) 2007-08-23 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-20070225332-A1 NOVEL ACETYL-COA CARBOXYLASE (ACC) INHIBITORS AND THEIR USE IN DIABETES, OBESITY AND METABOLIC SYNDROME ACACA, ACACB, ACAT1 ALDH1A3 1644/4885ALDH1A1 330/4885CYP2A6 886/4885

“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.