SCHEMBL5201871

SCHEMBL5201871

COc1cc[nH]c(=O)c1Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44
POLB P06746 2/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
HTT P42858 1/20 0.42
PDE10A Q9Y233 5/20 0.41
NR3C1 P04150 1/20 0.41
NR3C2 P08235 1/20 0.41
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 0.41
LTA4H P09960 1/20 0.41
TYMP P19971 1/20 0.41
TRPC5 Q9UL62 1/20 0.40
P2RX7 Q99572 1/20 0.39
TEK Q02763 1/20 0.39
FAAH O00519 1/20 0.38

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
SCHEMBL5256531 0.83 L3MBTL1 (0.49) POLBHTTTYMP
SCHEMBL1346299 0.78 IDH1 (0.49) POLBKDM4EALDH1A1TYMP
SCHEMBL5907208 0.78 CA12 (0.41) POLBKDM4EALDH1A1TYMP
SCHEMBL15285375 0.76 CYP1A2 (0.49) KDM4EALDH1A1PDE3BPDE3ATYMP
SCHEMBL3728677 0.75 LTA4H (0.52) POLBKDM4EALDH1A1GAAHTT
SCHEMBL5199231 0.75 ALDH1A1 (0.47) POLBKDM4EALDH1A1GAAHTT
SCHEMBL6472545 0.73 MAOB (0.50) POLBKDM4EALDH1A1GAA
SCHEMBL27796132 0.72 ALDH1A1 (0.43) POLBKDM4EALDH1A1GAAHTT
SCHEMBL3655327 0.71 RXRA (0.43) POLB
SCHEMBL2093881 0.69 HTR1A (0.52) LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3365337-A1 PYRIDONE DERIVATIVES AND THEIR USE AS KINASE INHIBITORS Selvita S.A. (PL) 2018-08-29 EP disclosed
WO-2017068064-A1 PYRIDONE DERIVATIVES AND THEIR USE AS KINASE INHIBITORS SELVITA S.A. (PL) 2017-04-27 WO disclosed
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 PDE4A 1687/4885PDE4B 2434/4885PDE4C 3262/4885

“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.