SCHEMBL3108768

SCHEMBL3108768

C[Si](C)(C)C(C[O])c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.37
HTR2A P28223 4/20 0.37
HRH1 P35367 3/20 0.37
LMNA P02545 1/20 0.37
GRM2 Q14416 1/20 0.36
GRM3 Q14832 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
SLC6A3 Q01959 1/20 0.35
CYP2D6 P10635 1/20 0.34
SRC P12931 1/20 0.34
ACP3 P15309 1/20 0.34

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
SCHEMBL28939784 0.79 PTGS1 (0.53) CYP2D6
SCHEMBL7108780 0.77 ANPEP (0.39) TAAR1HTR2AHRH1LMNATDP1
SCHEMBL9395013 0.77 TAAR1 (0.52) TAAR1HTR2AHRH1SLC6A3CYP2D6
SCHEMBL8071269 0.77 CYP2C19 (0.36) TAAR1HTR2AHRH1LMNAGRM2
SCHEMBL31465223 0.76 SLC6A2 (0.48) TAAR1HTR2AHRH1SLC6A3CYP2D6
SCHEMBL29000457 0.76 AOC3 (0.43) TAAR1HTR2AHRH1LMNA
SCHEMBL29233483 0.74 HRH1 (0.36) TAAR1HTR2AHRH1LMNATDP1
SCHEMBL3103406 0.72 ALDH1A1 (0.33) TAAR1HTR2AHRH1LMNAGRM2
SCHEMBL1695057 0.72 MTNR1A (0.42) LMNASLC6A3CYP2D6
SCHEMBL28957363 0.72 CYP2C19 (0.47) TAAR1HTR2AHRH1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102786476-B compounds as opioid receptor modulators 詹森药业有限公司 2017-01-18 CN disclosed
US-7759494-B2 Method of preparation of anticancer taxanes using 3-[(substituted-2-trialkylsilyl)ethoxy-carbonyl]-5-oxazolidine carboxylic acids DABUR INDIA LIMITED (IN) 2010-07-20 US disclosed
US-20080064887-A1 Method of preparation of anticancer taxanes using 3-[(substituted-2-trialkylsilyl)ethoxycarbon1]-5-oxazolidine carboxylic acids DABUR INDIA LIMITED (IN) 2008-03-13 US disclosed
US-20030229135-A1 Method of preparation of anticancer taxanes using 3-[(substituted-2-trialkylsilyl)ethoxycarbonyl]-5-oxazolidine carboxylic acids DABUR PHARMA LIMITED (IN) 2003-12-11 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 (2 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-20030229135-A1 Method of preparation of anticancer taxanes using 3-[(substituted-2-trialkylsilyl)ethoxycarbonyl]-5-oxazolidine carboxylic acids TBCA, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, TUBAL3 TAAR1 2289/4885HTR2A 3625/4885HRH1 2769/4885
US-20080064887-A1 Method of preparation of anticancer taxanes using 3-[(substituted-2-trialkylsilyl)ethoxycarbon1]-5-oxazolidine carboxylic acids TBCA, TUBAL3, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 TAAR1 1870/4885HTR2A 3117/4885HRH1 2127/4885

“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.