SCHEMBL7143060

SCHEMBL7143060

Oc1ccc(C2=CCOCC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.52
PIK3CD O00329 3/20 0.47
PIK3CA P42336 3/20 0.47
QDPR P09417 2/20 0.46
ESR2 Q92731 3/20 0.41
ESR1 P03372 1/20 0.40
HTR1D P28221 1/20 0.40
DYRK1A Q13627 1/20 0.38
BACE1 P56817 1/20 0.36
IKBKE Q14164 1/20 0.36
TBK1 Q9UHD2 1/20 0.36
CSNK1D P48730 1/20 0.36
CSNK1E P49674 1/20 0.36
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
FABP7 O15540 1/20 0.36

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
SCHEMBL26560458 0.87 HTR1D (0.43) MAPK14PIK3CDPIK3CAHTR1DDYRK1A
SCHEMBL27962016 0.79 HTR1D (0.40) MAPK14PIK3CDPIK3CAHTR1DDYRK1A
SCHEMBL4772120 0.79 HTR2C (0.46) MAPK14PIK3CDPIK3CAHTR1DDYRK1A
SCHEMBL14320398 0.79 BACE1 (0.42) MAPK14PIK3CDPIK3CAHTR1DDYRK1A
SCHEMBL14183094 0.79 MAPK14 (0.48) MAPK14PIK3CDPIK3CAHTR1DBACE1
SCHEMBL24196019 0.79 HTR1D (0.40) MAPK14PIK3CDPIK3CAHTR1DDYRK1A
SCHEMBL24196034 0.79 MAPK14 (0.40) MAPK14PIK3CDPIK3CAHTR1DDYRK1A
SCHEMBL18857842 0.78 MAPK14 (0.47) MAPK14PIK3CDPIK3CAHTR1DCSNK1D
SCHEMBL420951 0.77 IKBKE (0.44) PIK3CDPIK3CAIKBKETBK1FABP7
SCHEMBL23956483 0.77 HTR1D (0.42) MAPK14PIK3CDPIK3CAQDPRHTR1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190177327-A1 SUBSTITUTED METHYL PYRAZOLOPYRIMIDINONE AND METHYL IMIDAZOPYRAZINONE COMPOUNDS AS PDE1 INHIBITORS DART NEUROSCIENCE LLC (US) 2019-06-13 US disclosed
CN-1210250-C Benzene derivatives, preparation method and pharmaceutical compositions containing same SANOFI SYNTHELABO (FR) 2005-07-13 CN disclosed
EP-1192122-B1 BENZENE DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SANOFI SYNTHELABO (FR) 2003-10-22 EP disclosed
US-6482986-B1 Benzene derivatives, preparation method and pharmaceutical compositions containing same SANOFI-SYNTHELABO (FR) 2002-11-19 US disclosed
CN-1355782-A Benzene derivatives, preparation method and pharmaceutical compositions containing same SANOFI SYNTHELABO (FR) 2002-06-26 CN disclosed
EP-1192122-A1 BENZENE DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SANOFI-SYNTHELABO (FR) 2002-04-03 EP disclosed
WO-2000076953-A1 BENZENE DERIVATIVES, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SANOFI-SYNTHELABO (FR) 2000-12-21 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-20190177327-A1 SUBSTITUTED METHYL PYRAZOLOPYRIMIDINONE AND METHYL IMIDAZOPYRAZINONE COMPOUNDS AS PDE1 INHIBITORS PDE3A, PDE5A, PDE4A MAPK14 1356/4885PIK3CD 607/4885PIK3CA 661/4885

“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.