SCHEMBL2508060

SCHEMBL2508060

CCCCCC1CO[CH]O1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.54
EPHX1 P07099 1/20 0.45
CYP1A2 P05177 3/20 0.38
GRM2 Q14416 7/20 0.34
PPARG P37231 1/20 0.34
SPHK1 Q9NYA1 4/20 0.33
SPHK2 Q9NRA0 3/20 0.33
TDP1 Q9NUW8 1/20 0.33
SIRT2 Q8IXJ6 1/20 0.33

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
SCHEMBL2507310 0.98 ALDH1A1 (0.57) ALDH1A1EPHX1CYP1A2GRM2PPARG
SCHEMBL1862673 0.94
SCHEMBL1937353 0.85
SCHEMBL50924 0.72
SCHEMBL1682675 0.72
SCHEMBL5605198 0.72
SCHEMBL8612439 0.71 ALDH1A1 (0.64) ALDH1A1EPHX1CYP1A2GRM2PPARG
SCHEMBL23495987 0.70 ALDH1A1 (1.00) ALDH1A1EPHX1CYP1A2SPHK1SPHK2
SCHEMBL12977806 0.70 ALDH1A1 (1.00) ALDH1A1EPHX1CYP1A2SPHK1SPHK2
SCHEMBL5313598 0.70 ALDH1A1 (1.00) ALDH1A1EPHX1CYP1A2SPHK1SPHK2

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 2 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
US-20110245249-A1 Heterocyclically Substituted Anilinopyrimidines BAYER CROPSCIENCE AG (DE) 2011-10-06 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-20110245249-A1 Heterocyclically Substituted Anilinopyrimidines POLL, H1-2, H1-0 ALDH1A1 530/4885EPHX1 378/4885CYP1A2 7/4885

“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.