SCHEMBL1936627

SCHEMBL1936627

COc1ccc(OCC2CO[CH]O2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.54
GRM2 Q14416 1/20 0.47
TSHR P16473 4/20 0.45
MAPT P10636 3/20 0.45
TP53 P04637 3/20 0.45
ALDH1A1 P00352 3/20 0.45
HPGD P15428 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
HIF1A Q16665 2/20 0.45
CYP1A2 P05177 1/20 0.45
PPARG P37231 1/20 0.45
DRD4 P21917 4/20 0.45
TDP1 Q9NUW8 2/20 0.44
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
CYP3A4 P08684 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP2D6 P10635 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL5994567 0.80 PKM (0.76) PKMGRM2TSHRMAPTTP53
SCHEMBL410250 0.80 PKM (0.76) PKMGRM2TSHRMAPTTP53
SCHEMBL6099389 0.80 PKM (0.76) PKMGRM2TSHRMAPTTP53
SCHEMBL9840100 0.73 PKM (0.61) PKMGRM2TSHRMAPTTP53
SCHEMBL9290007 0.73 PKM (0.66) PKMGRM2TSHRMAPTTP53
SCHEMBL7068398 0.73 PKM (0.54) PKMGRM2TSHRMAPTTP53
SCHEMBL9840041 0.73 PKM (0.61) PKMGRM2TSHRMAPTTP53
SCHEMBL6267008 0.71 PKM (0.51) PKMGRM2TSHRMAPTTP53
SCHEMBL9290002 0.71 ALDH1A1 (0.88) PKMGRM2TSHRMAPTTP53
SCHEMBL9840378 0.71 PKM (0.55) PKMGRM2TSHRMAPTTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110245249-A1 Heterocyclically Substituted Anilinopyrimidines BAYER CROPSCIENCE AG (DE) 2011-10-06 US claimed
EP-2331533-A1 HETEROCYCLICALLY SUBSTITUTED ANILINOPYRIMIDINES AS FUNGICIDES Bayer CropScience AG (DE) 2011-06-15 EP claimed
WO-2010025850-A1 HETEROCYCLICALLY SUBSTITUTED ANILINOPYRIMIDINES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2010-03-11 WO claimed
US-20110245249-A1 Heterocyclically Substituted Anilinopyrimidines BAYER CROPSCIENCE AG (DE) 2011-10-06 US disclosed
EP-2331533-A1 HETEROCYCLICALLY SUBSTITUTED ANILINOPYRIMIDINES AS FUNGICIDES Bayer CropScience AG (DE) 2011-06-15 EP disclosed
WO-2010025850-A1 HETEROCYCLICALLY SUBSTITUTED ANILINOPYRIMIDINES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2010-03-11 WO 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-20110245249-A1 Heterocyclically Substituted Anilinopyrimidines POLL, H1-2, H1-0 PKM 2015/4885GRM2 1940/4885TSHR 4134/4885

“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.