SCHEMBL4685740

SCHEMBL4685740

c1ccc(Oc2ccc(Oc3nccs3)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 1/20 0.47
TLR2 O60603 1/20 0.47
LTA4H P09960 8/20 0.46
TSHR P16473 1/20 0.46
ACACB O00763 3/20 0.45
ACACA Q13085 2/20 0.45
PDPK1 O15530 1/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
NR1H2 P55055 1/20 0.42
BAX Q07812 1/20 0.42
MAOA P21397 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SCN9A Q15858 1/20 0.41
SYK P43405 1/20 0.41
PLA2G2A P14555 1/20 0.40
TP53 P04637 1/20 0.40
THRB P10828 1/20 0.40
HPGD P15428 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
SCHEMBL2110045 0.96 TLR4 (0.49) TLR4TLR2LTA4HTSHRACACB
Ethyne SCHEMBL27831513 0.92 TLR4 (0.47) TLR4TLR2LTA4HTSHRACACB
Diphenylether SCHEMBL28212638 0.81 TLR4 (0.42) TLR4TLR2LTA4HTSHRACACB
SCHEMBL1371678 0.81 MEN1 (0.50) TLR4TLR2LTA4HTSHRACACB
SCHEMBL7492368 0.81 TLR4 (0.40) TLR4TLR2TSHRACACBACACA
SCHEMBL25369458 0.81 FBP1 (0.43) TLR4TLR2LTA4HACACBACACA
SCHEMBL26298581 0.81 ALDH1A1 (0.49) TLR4TLR2ACACBACACANPC1
SCHEMBL4743684 0.81 FBP1 (0.51) TLR4TLR2LTA4HTSHRACACB
SCHEMBL21274270 0.81 L3MBTL1 (0.44) TLR4TLR2LTA4HACACBACACA
SCHEMBL11588509 0.79 SMN1; SMN2 (0.49) TLR4TLR2LTA4HTSHRACACB

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 5 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
US-20060178400-A1 Novel acetyl-CoA carboxylase (ACC) inhibitors and their use in diabetes, obesity and metabolic syndrome ABBOTT LABORATORIES 2006-08-10 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 (2 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 TLR4 3416/4885TLR2 2927/4885LTA4H 1582/4885
US-20060178400-A1 Novel acetyl-CoA carboxylase (ACC) inhibitors and their use in diabetes, obesity and metabolic syndrome ACACA, ACACB, ACAT1 TLR4 3416/4885TLR2 2927/4885LTA4H 1582/4885

“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.