SCHEMBL6188960

SCHEMBL6188960

CC(=O)C(CC=Cc1ccccc1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 4/20 0.54
GRIK2 Q13002 4/20 0.54
HTR2A P28223 3/20 0.53
PAM P19021 1/20 0.52
GLA P06280 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
PIN1 Q13526 1/20 0.45
CTSC P53634 1/20 0.44
MAOB P27338 1/20 0.44
CYP1A2 P05177 2/20 0.43
HDAC3 O15379 1/20 0.42
TNKS O95271 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HCAR2 Q8TDS4 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42

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
SCHEMBL6188957 1.00 GRIK1 (0.54) GRIK1GRIK2HTR2APAMGLA
SCHEMBL27989732 0.91 GRIK1 (0.62) GRIK1GRIK2HTR2APAMGLA
SCHEMBL27689553 0.91 GRIK1 (0.62) GRIK1GRIK2HTR2APAMGLA
SCHEMBL7254441 0.85 HTR2A (0.46) GRIK1GRIK2HTR2APAMGLA
SCHEMBL6192213 0.85 HTR2A (0.46) GRIK1GRIK2HTR2APAMGLA
SCHEMBL9620462 0.84 MMP8 (0.50) GRIK1GRIK2HTR2APAMGLA
SCHEMBL9620464 0.84 MMP8 (0.50) GRIK1GRIK2HTR2APAMGLA
SCHEMBL3020746 0.84 GRIK1 (0.59) GRIK1GRIK2HTR2APAMGLA
SCHEMBL3020748 0.84 GRIK1 (0.59) GRIK1GRIK2HTR2APAMGLA
SCHEMBL13235939 0.82 HTR2A (0.58) GRIK1GRIK2HTR2APAMGLA

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-1347978-B1 NOVEL SUBSTITUTED IMIDAZOTRIAZINONES AS PDE II-INHIBITORS BAYER HEALTHCARE AG (DE) 2005-08-31 EP disclosed
EP-1347978-A1 NOVEL SUBSTITUTED IMIDAZOTRIAZINONES AS PDE II-INHIBITORS Bayer Aktiengesellschaft (DE) 2003-10-01 EP disclosed
US-6573263-B2 For improving perception, concentration power, learning power and/ or memory power BAYER AKTIENGESELLSCHAFT (DE) 2003-06-03 US disclosed
US-20020198377-A1 Substituted imidazotriazinones BAYER AKTIENGESELLSCHAFT (DE) 2002-12-26 US disclosed
WO-2002050078-A1 NOVEL SUBSTITUTED IMIDAZOTRIAZINONES AS PDE II-INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 2002-06-27 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-20020198377-A1 Substituted imidazotriazinones CAMK4, ITPR1, KCNJ5 GRIK1 67/4885GRIK2 47/4885HTR2A 1103/4885

“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.