SCHEMBL6698985

SCHEMBL6698985

CCSC(=O)C(C)Cc1ccc(OCC(=O)O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
TSHR P16473 1/20 0.51
ADRB2 P07550 3/20 0.45
ADRB1 P08588 3/20 0.45
ADRB3 P13945 2/20 0.45
ADRA1D P25100 1/20 0.45
ADRA1A P35348 1/20 0.45
ADRA1B P35368 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
MAPT P10636 2/20 0.44
MAPK1 P28482 1/20 0.44
ALOX15 P16050 1/20 0.44
NR4A1 P22736 1/20 0.41
APEX1 P27695 1/20 0.41
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL6936865 0.83 PPARA (0.41) PPARA
SCHEMBL6698978 0.83 PTPN1 (0.45) ADRB2ADRB1ADRB3MAPTMEN1
SCHEMBL14032834 0.82 ALDH1A1 (0.55) ALDH1A1TSHRADRB2ADRB1ADRB3
SCHEMBL14032811 0.82 ALDH1A1 (0.55) ALDH1A1TSHRADRB2ADRB1ADRB3
SCHEMBL24915328 0.81 ALDH1A1 (0.54) ALDH1A1TSHRADRB2ADRB1ADRB3
SCHEMBL26172590 0.80 ALDH1A1 (0.53) ALDH1A1TSHRADRB2ADRB1ADRB3
SCHEMBL7131207 0.80 ALDH1A1 (0.53) ALDH1A1TSHRADRB2ADRB1ADRB3
SCHEMBL7131204 0.80 ALDH1A1 (0.53) ALDH1A1TSHRADRB2ADRB1ADRB3
SCHEMBL12086478 0.79 ALDH1A1 (0.58) ALDH1A1TSHRADRB2ADRB1ADRB3
SCHEMBL10702376 0.77 ALDH1A1 (0.57) ALDH1A1TSHRADRB2ADRB1ADRB3

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-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 ALDH1A1 28/4885TSHR 1887/4885ADRB2 595/4885
US-20030069294-A1 Alpha-substituted carboxylic acid derivatives SLC5A1, SLC2A1, GPR119 ALDH1A1 28/4885TSHR 1887/4885ADRB2 595/4885

“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.