SCHEMBL13809221

SCHEMBL13809221

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 9/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
HTR1A P08908 1/20 0.50
ADRA2A P08913 1/20 0.50
SLC6A2 P23975 1/20 0.50
CYP2C19 P33261 1/20 0.50
HTR3A P46098 1/20 0.50
BACE1 P56817 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
BLM P54132 1/20 0.48
KMT2A Q03164 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
CYP2A6 P11509 2/20 0.45
CYP1A2 P05177 1/20 0.45
HTR2A P28223 4/20 0.42
NOS3 P29474 2/20 0.42
NOS1 P29475 2/20 0.42
NOS2 P35228 2/20 0.42
LOXL2 Q9Y4K0 2/20 0.41

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
SCHEMBL13809203 0.86 ESR1 (0.43) TAAR1ALDH1A1SLC6A2BLMTDP1
SCHEMBL12309927 0.80 ESR1 (0.61) SLC6A2BLMKMT2AESR1
SCHEMBL15443987 0.79 ESR1 (0.43) TAAR1ALDH1A1L3MBTL1BLMKMT2A
SCHEMBL13078449 0.79 ESR1 (0.43) TAAR1KDM4EALDH1A1L3MBTL1BLM
SCHEMBL15457714 0.79 ESR1 (0.43) SLC6A2BLMHTR2ANOS3NOS1
SCHEMBL13363663 0.78 GFER (0.46) ALDH1A1TDP1LOXL2SMN1; SMN2MAOB
SCHEMBL15443986 0.77 ESR1 (0.42) BLMCYP1A2ESR1
SCHEMBL12224660 0.77 ESR1 (0.42) ALDH1A1SLC6A2BLMHTR2AESR1
SCHEMBL881459 0.77 ESR1 (0.42) TAAR1KDM4EALDH1A1BLMHTR2A
SCHEMBL18608262 0.76 SLC6A2 (0.50) TAAR1ALDH1A1SLC6A2CYP2C19CYP1A2

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 3 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

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 TAAR1 1904/4885KDM4E 4627/4885ALDH1A1 1723/4885

“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.