SCHEMBL4200267

SCHEMBL4200267

CC(C)(C)C(C(=O)O)C(C)(C)CN

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
GABRR1 P24046 2/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
PTGS1 P23219 1/20 0.34
GRIK1 P39086 2/20 0.34
SLC7A5 Q01650 2/20 0.33
SLC1A3 P43003 1/20 0.31
SLC1A2 P43004 1/20 0.31
SLC1A1 P43005 1/20 0.31
CPB2 Q96IY4 1/20 0.30
GRIK2 Q13002 1/20 0.30

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
SCHEMBL27550006 0.81 GABRR1 (0.39) KDM4EGABRR1ALDH1A1MAPTPTGS1
SCHEMBL4553889 0.76 ALDH1A1 (0.39) ALDH1A1MAPTPTGS1SLC7A5
SCHEMBL19988095 0.75 KDM4E (0.41) KDM4EGABRR1ALDH1A1MAPTPTGS1
SCHEMBL9069205 0.74 CHRM1 (0.36) ALDH1A1SLC1A3SLC1A2SLC1A1
SCHEMBL29957040 0.73 KDM4E (0.39) KDM4EGABRR1ALDH1A1MAPTPTGS1
SCHEMBL28705428 0.73 PTGS1 (0.52) KDM4EGABRR1ALDH1A1MAPTPTGS1
SCHEMBL27867633 0.71 RNPEP (0.39) KDM4EGABRR1ALDH1A1MAPTPTGS1
SCHEMBL16036703 0.71 KDM4E (0.38) KDM4EGABRR1ALDH1A1MAPTPTGS1
SCHEMBL5856701 0.71 CYP2D6 (0.30)
SCHEMBL6362919 0.68 ALDH1A1 (0.36) ALDH1A1MAPTPTGS1SLC7A5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090156646-A1 PYRIDYLPHENOL COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 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-20090156646-A1 PYRIDYLPHENOL COMPOUND AND USE THEREOF GNRHR, PGR, MC1R KDM4E 881/4885GABRR1 1458/4885ALDH1A1 3446/4885

“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.