SCHEMBL5610196

SCHEMBL5610196

CCCC([O])c1cc(C)c(O)c(C)c1C

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
ALOX15 P16050 1/20 0.35
CYP2C19 P33261 1/20 0.35
ESR1 P03372 3/20 0.33
ESR2 Q92731 1/20 0.33
EEF2K O00418 1/20 0.33
SRC P12931 1/20 0.33
SOAT2 O75908 1/20 0.32
ACAT1 P24752 1/20 0.32
SOAT1 P35610 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
TAS1R3 Q7RTX0 1/20 0.30
TAS1R1 Q7RTX1 1/20 0.30

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
SCHEMBL5610613 0.79 TP53 (0.35) TP53CYP2D6CYP2C9ALOX15CYP2C19
SCHEMBL28237571 0.73 ESR1 (0.38) TP53CYP2D6CYP2C9ALOX15CYP2C19
SCHEMBL5710020 0.72 SOAT2 (0.40) TP53CYP2D6CYP2C9ALOX15CYP2C19
SCHEMBL9820578 0.72 TOP1 (0.44) ESR1SOAT2ACAT1SOAT1CA2
SCHEMBL24451040 0.72 CA1 (0.42) CYP2D6CYP2C9CYP2C19ESR1ESR2
SCHEMBL17888699 0.72 CA1 (0.42) CYP2D6CYP2C9CYP2C19ESR1ESR2
SCHEMBL11351589 0.72 HMGB1 (0.35) ESR1ESR2EEF2KSRCSOAT2
SCHEMBL8376907 0.72 TAS1R3 (0.32) TAS1R3TAS1R1
SCHEMBL17081926 0.70 CA1 (0.46) EEF2KSRCCA1CA2
SCHEMBL1176723 0.70 CA1 (0.40) CYP2C9CYP2C19ESR1ESR2EEF2K

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7199139-B2 Medicinal compositions containing diuretic and insulin resistance-improving agent SANKYO COMPANY, LIMITED (JP) 2007-04-03 US disclosed
EP-1354602-B1 MEDICINAL COMPOSITIONS CONTAINING DIURETIC AND INSULIN RESISTANCE-IMPROVING AGENT SANKYO CO (JP) 2006-10-04 EP disclosed
EP-1695716-A2 Medicinal compositions containing diuretics and insulin sensitizers Sankyo Company, Limited (JP) 2006-08-30 EP disclosed
US-20050288339-A1 Medicinal compositions containing diuretic and insulin resistance-improving agent SANKYO COMPANY, LIMITED (JP) 2005-12-29 US disclosed
US-20040053974-A1 Medicinal compositions containing diuretic and insulin resistance-improving agent SANKYO COMPANY, LIMITED (JP) 2004-03-18 US disclosed
US-20040002512-A1 Alpha-substituted carboxylic acid derivatives SANKYO COMPANY, LIMITED (JP) 2004-01-01 US disclosed
EP-1354602-A1 MEDICINAL COMPOSITIONS CONTAINING DIURETIC AND INSULIN RESISTANCE-IMPROVING AGENT Sankyo Company, Limited (JP) 2003-10-22 EP 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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 TP53 3629/4885CYP2D6 601/4885CYP2C9 690/4885
US-20030069294-A1 Alpha-substituted carboxylic acid derivatives SLC5A1, SLC2A1, GPR119 TP53 3629/4885CYP2D6 601/4885CYP2C9 690/4885
US-20040053974-A1 Medicinal compositions containing diuretic and insulin resistance-improving agent GPR119, INSR, IRS1 TP53 3525/4885CYP2D6 3704/4885CYP2C9 4681/4885
US-20050288339-A1 Medicinal compositions containing diuretic and insulin resistance-improving agent GPR119, INSR, IRS1 TP53 3525/4885CYP2D6 3704/4885CYP2C9 4681/4885

“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.