SCHEMBL13809203

SCHEMBL13809203

CC(C)(Cc1ccc(N)cc1)[Si](C)(C)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 5/20 0.43
FDPS P14324 1/20 0.41
CYP3A4 P08684 3/20 0.41
ALDH1A1 P00352 2/20 0.41
GFER P55789 1/20 0.41
TSHR P16473 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ESR2 Q92731 3/20 0.39
LOXL2 Q9Y4K0 1/20 0.39
BLM P54132 1/20 0.39
CA3 P07451 1/20 0.37
THRB P10828 1/20 0.37
ALOX15 P16050 1/20 0.37
CA6 P23280 1/20 0.37
CASP1 P29466 1/20 0.37
HIF1A Q16665 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CA14 Q9ULX7 1/20 0.37
EPHX2 P34913 1/20 0.37
SLC6A2 P23975 2/20 0.36

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
SCHEMBL13809221 0.86 TAAR1 (0.50) ESR1ALDH1A1TDP1LOXL2BLM
SCHEMBL12309927 0.85 ESR1 (0.61) ESR1CYP3A4TSHRESR2BLM
SCHEMBL13078449 0.83 ESR1 (0.43) ESR1ALDH1A1TSHRESR2BLM
SCHEMBL15443987 0.83 ESR1 (0.43) ESR1ALDH1A1ESR2BLMALOX15
SCHEMBL15457714 0.83 ESR1 (0.43) ESR1TSHRESR2BLMCA6
SCHEMBL13363663 0.82 GFER (0.46) FDPSCYP3A4ALDH1A1GFERTSHR
SCHEMBL15443986 0.82 ESR1 (0.42) ESR1CYP3A4ESR2BLM
SCHEMBL12224660 0.82 ESR1 (0.42) ESR1ALDH1A1ESR2BLMTHRB
SCHEMBL881459 0.82 ESR1 (0.42) ESR1ALDH1A1ESR2BLMALOX15
SCHEMBL18608262 0.81 SLC6A2 (0.50) ESR1FDPSCYP3A4ALDH1A1TSHR

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
WO-2009076618-A2 GENERATION OF COMBINATORIAL SYNTHETIC LIBRARIES AND SCREENING FOR NOVEL PROADHESINS AND NONADHESINS CERNOFINA, LLC (US) 2009-06-18 WO disclosed
US-20090124690-A1 Generation of Combinatorial Synthetic Libraries and Screening for Novel Proadhesins and Nonadhesins CERNOFINA, LLC 2009-05-14 US disclosed
US-7479571-B2 Generation of combinatorial synthetic libraries and screening for novel proadhesins and nonadhesins CERNOFINA, LLC (US) 2009-01-20 US disclosed
US-7462637-B2 Derivatives of [6,7-dihydro-5H-imidazo[1,2--a]imidazole-3-sulfonyl]-pyrrolidine-2-carboxylic acid amide BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2008-12-09 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-20090124690-A1 Generation of Combinatorial Synthetic Libraries and Screening for Novel Proadhesins and Nonadhesins SELP, SELE, SELPLG ESR1 1133/4885FDPS 1611/4885CYP3A4 3661/4885

“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.