SCHEMBL5028320

SCHEMBL5028320

CCCOc1cc(C)c(N)c(C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
TP53 P04637 2/20 0.42
TSHR P16473 2/20 0.42
CYP3A4 P08684 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
MAPT P10636 3/20 0.41
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
HTT P42858 2/20 0.40
KDM4E B2RXH2 2/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
CASP1 P29466 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
SCHEMBL5359909 0.90 MAPT (0.45) ALDH1A1TP53TSHRMAPTPTGS1
SCHEMBL7225914 0.89 TSHR (0.44) ALDH1A1TP53TSHRCYP3A4TDP1
SCHEMBL6460166 0.88 TSHR (0.51) ALDH1A1TP53TSHRCYP3A4TDP1
SCHEMBL19480454 0.86 TSHR (0.54) TP53TSHRMAPTGAALMNA
SCHEMBL7220329 0.86 TSHR (0.54) TP53TSHRMAPTGAALMNA
SCHEMBL1401588 0.82 TSHR (0.48) ALDH1A1TP53TSHRCYP3A4TDP1
SCHEMBL12925858 0.82 GPR84 (0.44) TP53TSHRMAPTPTGS1PTGS2
SCHEMBL3439539 0.81 TSHR (0.41) ALDH1A1TP53TSHRCYP3A4TDP1
SCHEMBL11706025 0.81 TP53 (0.46) ALDH1A1TP53TSHRCYP3A4TDP1
SCHEMBL25231418 0.79 TP53 (0.45) ALDH1A1TP53TSHRCYP3A4TDP1

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
EP-3046156-A1 ORGANIC ELECTROLUMINESCENT ELEMENT, AND ILLUMINATION DEVICE AND DISPLAY DEVICE EACH COMPRISING THE ELEMENT Konica Minolta Holdings, Inc. (JP) 2016-07-20 EP disclosed
EP-2453496-A1 ORGANIC ELECTROLUMINESCENT ELEMENT, NOVEL COMPOUND, LIGHTING DEVICE AND DISPLAY DEVICE Konica Minolta Holdings, Inc. (JP) 2012-05-16 EP disclosed
US-20070249670-A1 Glycogen Phosphorylase Inhibitor Compounds and Pharmaceutical Compositions Thereof SMITHKLINE BEECHAM CORPORATION (US) 2007-10-25 US disclosed
EP-1812383-A1 GLYCOGEN PHOSPHORYLASE INHIBITOR COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF Smithkline Beecham Corporation (US) 2007-08-01 EP disclosed
WO-2006052722-A1 GLYCOGEN PHOSPHORYLASE INHIBITOR COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF SMITHKLINE BEECHAM CORPORATION (US) 2006-05-18 WO disclosed
US-4237068-A Primary aminoacylanilides ASTRA PHARMACEUTICAL PRODUCTS, INC. (US) 1980-12-02 US disclosed
US-4218477-A LONG LASTING ORAL AGENTS ASTRA PHARMACEUTICAL PRODUCTS, INC. (US) 1980-08-19 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-20070249670-A1 Glycogen Phosphorylase Inhibitor Compounds and Pharmaceutical Compositions Thereof PYGM, PYGL, GYS1 ALDH1A1 2212/4885TP53 4139/4885TSHR 4627/4885

“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.