SCHEMBL6700189

SCHEMBL6700189

Cc1cc(Oc2ccc3nc(C(C)Oc4ccc(C(C)(O)C(=O)O)cc4)[nH]c3c2)c(C)c(C)c1O

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SCN10A Q9Y5Y9 12/20 0.36
MEN1 O00255 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
CYP1A2 P05177 1/20 0.32
RAF1 P04049 1/20 0.32
BRAF P15056 1/20 0.32
MLKL Q8NB16 1/20 0.32
CHEK2 O96017 1/20 0.31

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
SCHEMBL6701364 0.92 SCN10A (0.35) SCN10AMEN1HTTKMT2AALDH1A1
Hydrochloric Acid SCHEMBL6705153 0.91 SCN10A (0.35) SCN10AMEN1HTTKMT2AALDH1A1
SCHEMBL6701220 0.82 NPC1 (0.44) SCN10AMEN1HTTKMT2AALDH1A1
SCHEMBL6700184 0.82 HTT (0.38) SCN10AMEN1HTTKMT2AALDH1A1
Hydrochloric Acid SCHEMBL6702467 0.81 NPC1 (0.43) SCN10AMEN1HTTKMT2AALDH1A1
SCHEMBL6701361 0.79 HTT (0.37) MEN1HTTKMT2AALDH1A1HPGD
Hydrochloric Acid SCHEMBL6705149 0.78 HTT (0.37) MEN1HTTKMT2AALDH1A1HPGD
SCHEMBL6697832 0.76 SCN10A (0.38) SCN10AMEN1HTTKMT2ACYP1A2
SCHEMBL6543775 0.76 THRA (0.46) ALDH1A1
Hydrochloric Acid SCHEMBL6543735 0.75 THRA (0.45) ALDH1A1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040002512-A1 Alpha-substituted carboxylic acid derivatives SANKYO COMPANY, LIMITED (JP) 2004-01-01 US claimed
US-20030069294-A1 Alpha-substituted carboxylic acid derivatives SANKYO COMPANY, LIMITED (JP) 2003-04-10 US claimed
EP-1167357-A1 ALPHA-SUBSTITUTED CARBOXYLIC ACID DERIVATIVES Sankyo Company, Limited (JP) 2002-01-02 EP claimed
US-20040002512-A1 Alpha-substituted carboxylic acid derivatives SANKYO COMPANY, LIMITED (JP) 2004-01-01 US disclosed
US-6596751-B2 An insulin resistance improving agent, hypoglycemic agent, immunoregulatory agent, aldose reductase inhibitor, 5-lipoxygenase inhibitor, peroxidized lipid production suppressor, PPAR. activator, leukotriene antagonist, adipose SANKYO COMPANY LIMITED (JP) 2003-07-22 US disclosed
US-20030069294-A1 Alpha-substituted carboxylic acid derivatives SANKYO COMPANY, LIMITED (JP) 2003-04-10 US disclosed
EP-1167357-A1 ALPHA-SUBSTITUTED CARBOXYLIC ACID DERIVATIVES Sankyo Company, Limited (JP) 2002-01-02 EP 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-20040002512-A1 Alpha-substituted carboxylic acid derivatives SLC5A1, SLC2A1, GPR119 SCN10A 1236/4885MEN1 3577/4885HTT 4507/4885
US-20030069294-A1 Alpha-substituted carboxylic acid derivatives SLC5A1, SLC2A1, GPR119 SCN10A 1236/4885MEN1 3577/4885HTT 4507/4885

“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.