SCHEMBL817342

SCHEMBL817342

CC/C=C(\O[Si](C)(C)C)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.35
MTNR1B P49286 2/20 0.35
ATM Q13315 1/20 0.34
LMNA P02545 2/20 0.34
CES2 O00748 2/20 0.33
CES1 P23141 2/20 0.33
AKT1 P31749 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TSHR P16473 1/20 0.31
NPC1 O15118 2/20 0.31
KMT2A Q03164 2/20 0.31
MAPT P10636 2/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
ELANE P08246 1/20 0.31
PTGS2 P35354 1/20 0.31
ESR1 P03372 2/20 0.31
ESR2 Q92731 2/20 0.31

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
SCHEMBL28709497 0.86 CYP1A2 (0.40) MTNR1AMTNR1BATMLMNACES2
SCHEMBL10454330 0.84 MTNR1A (0.38) MTNR1AMTNR1BLMNAAKT1MAPK1
SCHEMBL14729820 0.84 MTNR1A (0.34) MTNR1AMTNR1BLMNAAKT1MAPK1
SCHEMBL5513089 0.80 ATM (0.43) MTNR1AMTNR1BATMLMNACES2
SCHEMBL817341 0.80 TSHR (0.35) MTNR1AMTNR1BLMNACES2CES1
SCHEMBL4442135 0.80 TSHR (0.35) MTNR1AMTNR1BLMNACES2CES1
SCHEMBL5513078 0.80 ATM (0.43) MTNR1AMTNR1BATMLMNACES2
SCHEMBL5595601 0.80 TSHR (0.35) MTNR1AMTNR1BLMNACES2CES1
SCHEMBL5085213 0.79 TSHR (0.43) MTNR1AMTNR1BATMLMNACES2
SCHEMBL23152624 0.77 ATM (0.36) MTNR1AMTNR1BATMLMNACES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7906651-B2 Catalytic system of asymmetric reactions in aqueous media; react a silicon enolate and formaldehyde; catalyst obtained by mixing chiral ligands with scandium triflate JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2011-03-15 US disclosed
US-20080269496-A1 Method for Producing Optically Active Hydroxymethylated Compounds JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2008-10-30 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-20080269496-A1 Method for Producing Optically Active Hydroxymethylated Compounds TET1, TET3, CYP3A4 MTNR1A 3191/4885MTNR1B 2602/4885ATM 4254/4885

“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.