SCHEMBL5199231

SCHEMBL5199231

O=c1[nH]ccc(O)c1Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
KDM4E B2RXH2 3/20 0.47
DAO P14920 2/20 0.44
TYMP P19971 1/20 0.44
LMNA P02545 2/20 0.42
HTT P42858 1/20 0.42
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPT P10636 1/20 0.41
POLB P06746 1/20 0.41
GAA P10253 2/20 0.41
BCL2 P10415 1/20 0.41
BCL2L1 Q07817 1/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 2/20 0.41
PARP1 P09874 1/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL6472996 0.81 DAO (0.52) ALDH1A1KDM4EDAOLMNAMEN1
SCHEMBL15285375 0.80 CYP1A2 (0.49) ALDH1A1KDM4EDAOTYMPMEN1
SCHEMBL1346299 0.79 IDH1 (0.49) ALDH1A1KDM4EDAOTYMPLMNA
SCHEMBL2178053 0.77 SMN1; SMN2 (0.47) KDM4EDAOLMNASMN1; SMN2MAPT
SCHEMBL5201871 0.75 PDE4A (0.44) ALDH1A1KDM4ETYMPHTTPOLB
SCHEMBL27657488 0.74 IDH1 (0.58) KDM4ELMNAHTTMEN1KMT2A
SCHEMBL5256531 0.73 L3MBTL1 (0.49) TYMPLMNAHTTSMN1; SMN2MAPT
SCHEMBL29105108 0.73 BCL2 (0.47) DAOMEN1KMT2ABCL2BCL2L1
SCHEMBL875676 0.72 BCL2 (0.54) ALDH1A1KDM4ELMNAHTTMEN1
SCHEMBL12432451 0.70 KDM4E (0.53) ALDH1A1KDM4ETYMPLMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070299065-A1 Tetrahydropyran Derivatives as Antidiabetics MERCK PATENT GMBH (DE) 2007-12-27 US disclosed
EP-1817323-A1 TETRAHYDROPYRANE DERIVATIVES FOR USE AS ANTIDIABETICS MERCK PATENT GmbH (DE) 2007-08-15 EP disclosed
WO-2006058597-A1 TETRAHYDROPYRANE DERIVATIVES FOR USE AS ANTIDIABETICS MERCK PATENT GMBH (DE) 2006-06-08 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-20070299065-A1 Tetrahydropyran Derivatives as Antidiabetics GPR119, GLP1R, INSR ALDH1A1 749/4885KDM4E 2058/4885DAO 3236/4885

“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.