SCHEMBL4743822

SCHEMBL4743822

CC(C)Oc1ccc(Oc2ccc(C=O)o2)cc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A3 P47895 1/20 0.51
ALOX5 P09917 4/20 0.41
KMT2A Q03164 1/20 0.39
PARP10 Q53GL7 1/20 0.38
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
NOTUM Q6P988 1/20 0.37
ERN1 O75460 1/20 0.36
GAA P10253 1/20 0.36
POLB P06746 1/20 0.36
ACACB O00763 3/20 0.35
ACACA Q13085 3/20 0.35
GLA P06280 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KDM4A O75164 1/20 0.34
MAPT P10636 1/20 0.34
KDM4C Q9H3R0 1/20 0.34

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
SCHEMBL1680659 0.78 ALDH1A1 (0.51) ALOX5ALDH1A1KDM4E
SCHEMBL1680419 0.78 MAOA (0.38) ALOX5KMT2AALDH1A1HSD17B10GAA
SCHEMBL1680731 0.78 LMNA (0.48) ALOX5KMT2AALDH1A1KDM4EHPGD
SCHEMBL3037639 0.77 KDM4E (0.56) ALDH1A3ALDH1A1KDM4EHPGDNOTUM
SCHEMBL14114873 0.74 PARP15 (0.41) ALOX5KMT2APARP10ALDH1A1KDM4E
SCHEMBL9078510 0.74 ALOX5 (0.36) ALOX5ALDH1A1KDM4EGAAPOLB
SCHEMBL3086894 0.73 HSPB1 (0.47) KMT2AALDH1A1KDM4EHPGDPOLB
SCHEMBL4967487 0.73 PARP10 (0.57) ALOX5KMT2APARP10ALDH1A1KDM4E
SCHEMBL25055322 0.72 ALDH1A1 (0.41) ALOX5ALDH1A1MAPT
SCHEMBL4744709 0.72 ALDH1A3 (0.88) ALDH1A3KMT2APARP10ALDH1A1KDM4E

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 1644/4885ALOX5 493/4885KMT2A 2749/4885

“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.