SCHEMBL2801258

SCHEMBL2801258

CC(C)(C)[Si](C)(C)OC1CCC(C=O)(CCOCc2ccccc2)CC1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
OPRM1 P35372 3/20 0.35
OPRL1 P41146 2/20 0.35
SOAT1 P35610 1/20 0.33
EPHX2 P34913 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
HRH4 Q9H3N8 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
DPP4 P27487 1/20 0.33
CHRM3 P20309 3/20 0.32
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
SLC6A2 P23975 1/20 0.32
PDE4A P27815 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
NAAA Q02083 1/20 0.32

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
SCHEMBL2800461 0.82 CHRM3 (0.37) ALDH1A1OPRM1OPRL1CHRM3CHRM2
SCHEMBL4713396 0.81 ALDH1A1 (0.35) ALDH1A1OPRM1OPRL1SOAT1EPHX2
SCHEMBL2800622 0.79 LMNA (0.43) ALDH1A1OPRM1L3MBTL1
SCHEMBL19032591 0.76 EPHX2 (0.40) SOAT1EPHX2L3MBTL1HRH4HRH3
SCHEMBL19839361 0.76 TACR1 (0.37) OPRM1OPRL1EPHX2DPP4SLC6A4
SCHEMBL22034844 0.76 ALDH1A1 (0.44) ALDH1A1OPRM1CHRM3CHRM2CHRM1
SCHEMBL26649008 0.76 ALDH1A1 (0.44) ALDH1A1OPRM1CHRM3CHRM2CHRM1
SCHEMBL31057226 0.74 LTA4H (0.51) ALDH1A1SIGMAR1HRH3
SCHEMBL19032799 0.74 EPHX2 (0.35) OPRM1OPRL1SOAT1EPHX2L3MBTL1
SCHEMBL19032868 0.74 EPHX2 (0.35) OPRM1OPRL1SOAT1EPHX2L3MBTL1

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-20100166819-A1 Transforming Growth Factor Modulators BIOGEN IDEC MA INC. A CORPORATION 2010-07-01 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-20100166819-A1 Transforming Growth Factor Modulators ACVR1, TGFBR1, ACVRL1 ALDH1A1 656/4885OPRM1 1875/4885OPRL1 1934/4885

“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.