SCHEMBL6053754

SCHEMBL6053754

CC(C)(C)[Si](OC[C@]1(O)C[C@@H]1COCc1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SMYD2 Q9NRG4 3/20 0.36
TAAR1 Q96RJ0 1/20 0.36
CHRM3 P20309 6/20 0.33
CHRM2 P08172 2/20 0.33
CHRM1 P11229 2/20 0.33
SLC6A2 P23975 1/20 0.33
PDE4A P27815 1/20 0.33
SLC6A4 P31645 1/20 0.33
OPRM1 P35372 1/20 0.33
SLC6A3 Q01959 1/20 0.33
TSHR P16473 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
SCHEMBL6053942 1.00 CYP3A4 (0.38) CYP3A4HTTSMN1; SMN2SMYD2TAAR1
SCHEMBL6053840 0.83 SMN1; SMN2 (0.42) CYP3A4HTTSMN1; SMN2SMYD2
SCHEMBL6053841 0.83 SMN1; SMN2 (0.42) CYP3A4HTTSMN1; SMN2SMYD2
SCHEMBL6053645 0.79 SMN1; SMN2 (0.39) CYP3A4HTTSMN1; SMN2SMYD2
SCHEMBL2909392 0.79 SMN1; SMN2 (0.39) CYP3A4HTTSMN1; SMN2SMYD2
SCHEMBL6053638 0.79 SMN1; SMN2 (0.39) CYP3A4HTTSMN1; SMN2SMYD2
SCHEMBL6053581 0.78 CYP3A4 (0.33) CYP3A4HTTSMN1; SMN2SMYD2TSHR
SCHEMBL6053956 0.78 CYP3A4 (0.33) CYP3A4HTTSMN1; SMN2SMYD2TSHR
SCHEMBL6053576 0.78 CYP3A4 (0.33) CYP3A4HTTSMN1; SMN2SMYD2TSHR
SCHEMBL6053579 0.78 CYP3A4 (0.33) CYP3A4HTTSMN1; SMN2SMYD2TSHR

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-20060111324-A1 (+)-Ttrans-isomers of (1-phosphonomethoxy-2-alkylcyclopropyl)methyl nucleoside derivatives, process for the preparation of stereoisomers thereof, and use of antiviral agents thereof LG LIFE SCIENCES (KR) 2006-05-25 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-20060111324-A1 (+)-Ttrans-isomers of (1-phosphonomethoxy-2-alkylcyclopropyl)methyl nucleoside derivatives, process for the preparation of stereoisomers thereof, and use of antiviral agents thereof TTR, HAVCR2, PNP CYP3A4 580/4885HTT 1430/4885SMN1; SMN2 358/4885

“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.