SCHEMBL5420161

SCHEMBL5420161

CCCC[Sn](CCCC)(CCCC)c1cnc(Oc2ccc(Oc3ccccc3)cc2)s1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.50
ACACB O00763 11/20 0.45
MLYCD O95822 1/20 0.40
ACACA Q13085 4/20 0.39
MAPT P10636 2/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
LMNA P02545 1/20 0.37
HDAC3 O15379 1/20 0.36
SLC8A1 P32418 1/20 0.36

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
SCHEMBL4742371 0.88 LMNA (0.40) LTA4HACACBACACAMAPTALDH1A1
SCHEMBL4689808 0.84 ACACB (0.47) ACACBACACA
SCHEMBL1763533 0.76
SCHEMBL424664 0.76 SLC6A3 (0.32)
SCHEMBL29249005 0.74 ALDH1A1 (0.41) MAPTALDH1A1LMNA
SCHEMBL2226640 0.70 SMN1; SMN2 (0.45) MAPTALDH1A1LMNAHDAC3
SCHEMBL25372626 0.69 MAPK10 (0.31)
SCHEMBL13545912 0.69 LTA4H (1.00) LTA4HALDH1A1HTTLMNA
SCHEMBL30767187 0.68 APP (0.39) LTA4HMAPTALDH1A1LMNA
SCHEMBL28612921 0.68 APP (0.39) LTA4HMAPTALDH1A1LMNA

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 3 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
CN-103554095-A Novel acetyl-coa carboxylase (acc) inhibitors and their use in diabetes, obesity and metabolic syndrome ABBVIE INC 2014-02-05 CN 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 LTA4H 1582/4885ACACB 2/4885MLYCD 87/4885

“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.