SCHEMBL13129643

SCHEMBL13129643

C[Si](C)(C)c1cccc(C2(O)CCC(=O)CC2)c1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
CYP2C9 P11712 1/20 0.40
KMT2A Q03164 1/20 0.40
ACHE P22303 1/20 0.36
ALDH1A1 P00352 5/20 0.33
OPRM1 P35372 5/20 0.33
OPRK1 P41145 5/20 0.33
OPRL1 P41146 5/20 0.33
OPRD1 P41143 4/20 0.33
ALOX5 P09917 1/20 0.33
KCNA3 P22001 2/20 0.32
S1PR1 P21453 1/20 0.31
KCNH2 Q12809 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
SCHEMBL615351 0.79 OPRM1 (0.51) MEN1CYP2C9KMT2AACHEALDH1A1
SCHEMBL13130325 0.77 OPRM1 (0.35) KMT2AACHEALDH1A1OPRM1OPRK1
SCHEMBL612783 0.77 MEN1 (0.44) MEN1CYP2C9KMT2AALDH1A1OPRM1
SCHEMBL614816 0.76 MEN1 (0.35) MEN1CYP2C9KMT2AALDH1A1OPRM1
SCHEMBL11796632 0.76 KCNA3 (0.48) MEN1CYP2C9KMT2AOPRM1OPRK1
SCHEMBL614812 0.75 MEN1 (0.43) MEN1CYP2C9KMT2AALDH1A1OPRM1
SCHEMBL615016 0.75 MEN1 (0.43) MEN1CYP2C9KMT2AALDH1A1OPRM1
SCHEMBL613629 0.75 ALDH1A1 (0.56) MEN1KMT2AALDH1A1OPRM1OPRK1
SCHEMBL613248 0.74 MEN1 (0.63) MEN1CYP2C9KMT2AALDH1A1OPRM1
SCHEMBL613750 0.74 CA12 (0.39) MEN1CYP2C9KMT2AALDH1A1OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100267689-A1 4-AZETIDINYL-1-PHENYL-CYCLOHEXANE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA N. V. (BE) 2010-10-21 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-20100267689-A1 4-AZETIDINYL-1-PHENYL-CYCLOHEXANE ANTAGONISTS OF CCR2 CCR2, CCR1, CCR5 MEN1 4312/4885CYP2C9 1738/4885KMT2A 1459/4885

“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.