SCHEMBL1626770

SCHEMBL1626770

C=C(CC(C(C)=O)C(=O)OCC)C(=O)OCC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
TSHR P16473 3/20 0.40
THRB P10828 1/20 0.39
MAPT P10636 2/20 0.38
GLO1 Q04760 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
LMNA P02545 1/20 0.37
HSD17B10 Q99714 1/20 0.37
NPSR1 Q6W5P4 1/20 0.33
CASP1 P29466 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
EGLN1 Q9GZT9 1/20 0.32
ALOX15 P16050 1/20 0.31
MGAM O43451 1/20 0.31
GAA P10253 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 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
SCHEMBL7067240 0.90 ALDH1A1 (0.44) ALDH1A1TSHRTHRBMAPTGLO1
SCHEMBL4151249 0.82 ALDH1A1 (0.41) ALDH1A1TSHRTHRBMAPTGLO1
SCHEMBL31338797 0.82 ALDH1A1 (0.41) ALDH1A1TSHRTHRBMAPTGLO1
SCHEMBL11164454 0.81 ALDH1A1 (0.39) ALDH1A1TSHRTHRBMAPTGLO1
SCHEMBL10271543 0.80 ALDH1A1 (0.36) ALDH1A1TSHRTHRBMAPTGLO1
SCHEMBL28867352 0.79 THRB (0.42) ALDH1A1TSHRTHRBLMNAHSD17B10
SCHEMBL5001158 0.78 ALDH1A1 (0.44) ALDH1A1TSHRMAPTGLO1LMNA
SCHEMBL22490215 0.77 ALDH1A1 (0.42) ALDH1A1TSHRTHRBMAPTGLO1
SCHEMBL460011 0.76 MGAM (0.46) ALDH1A1TSHRCYP2D6LMNAHSD17B10
SCHEMBL179918 0.76 ALDH1A1 (0.45) ALDH1A1TSHRTHRBMAPTGLO1

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-8569405-B2 Additive mixtures for styrenic polymers BASF SE (DE) 2013-10-29 US disclosed
US-8518302-B2 Stabilization of organic materials BASF SE (DE) 2013-08-27 US disclosed
US-20120088869-A1 STABILIZATION OF ORGANIC MATERIALS GERSTER MICHELE (CH) 2012-04-12 US disclosed
US-20110046278-A1 ADDITIVE MIXTURES FOR STYRENIC POLYMERS BASF SE (US) 2011-02-24 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-20120088869-A1 STABILIZATION OF ORGANIC MATERIALS LPO, AOX1, SOD1 ALDH1A1 6/4885TSHR 4649/4885THRB 4696/4885

“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.