SCHEMBL11905044

SCHEMBL11905044

CC(C)(C)[Si](C)(C)OCc1ccc(C2CCC3(CC2)OCCO3)cc1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 9/20 0.34
ESR2 Q92731 3/20 0.34
IKBKE Q14164 1/20 0.32
TBK1 Q9UHD2 1/20 0.32
TRPV3 Q8NET8 1/20 0.32
GPR119 Q8TDV5 1/20 0.31
C5AR1 P21730 1/20 0.31
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
ESR1 P03372 1/20 0.30
GRIN1 Q05586 1/20 0.30
GRIN2B Q13224 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
KMT2A Q03164 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
SCHEMBL15093737 0.83 ESR2 (0.38) ESR2CYP2C9ESR1
SCHEMBL8990466 0.82 ESR2 (0.39) PDE10AESR2IKBKETBK1TRPV3
SCHEMBL11904971 0.80 ESR2 (0.47) ESR2CYP2C9ESR1
SCHEMBL11905003 0.80 ESR2 (0.47) ESR2CYP2C9ESR1
SCHEMBL31072949 0.80 HTR2C (0.43)
SCHEMBL11904997 0.80 ESR2 (0.47) ESR2CYP2C9ESR1
SCHEMBL11920525 0.78 ESR2 (0.47) ESR2
SCHEMBL22873436 0.76 PDE10A (0.34) PDE10AESR2IKBKETBK1C5AR1
SCHEMBL14403053 0.76 ESR2 (0.42) ESR2IKBKETBK1TRPV3ESR1
SCHEMBL8451083 0.75 SPHK1 (0.43) C5AR1MEN1ALDH1A1KMT2A

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
US-9006232-B2 Pyrimidone derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2015-04-14 US disclosed
US-9006232-B2 Pyrimidone derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2015-04-14 US disclosed
US-9006232-B2 Pyrimidone derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2015-04-14 US disclosed
US-20120208797-A1 PYRIMIDONE DERIVATIVES SANOFI (FR) 2012-08-16 US disclosed
US-20120208797-A1 PYRIMIDONE DERIVATIVES SANOFI (FR) 2012-08-16 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-20120208797-A1 PYRIMIDONE DERIVATIVES PSEN1, PRNP, PSEN2 PDE10A 1120/4885ESR2 3789/4885IKBKE 1296/4885

“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.