SCHEMBL18924906

SCHEMBL18924906

CC(C)(C)[Si](OO)(c1ccccc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
ALOX15 P16050 1/20 0.41
ESR1 P03372 3/20 0.35
ESR2 Q92731 3/20 0.35
MAPK1 P28482 1/20 0.34
NR1H2 P55055 2/20 0.33
NR1H3 Q13133 2/20 0.33
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CYP3A4 P08684 2/20 0.31
AOC3 Q16853 1/20 0.31
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
SMYD2 Q9NRG4 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30
ABL1 P00519 1/20 0.30

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
SCHEMBL15888456 0.81 MAPK1 (0.37) ALDH1A1ALOX15ESR1ESR2MAPK1
SCHEMBL79874 0.81 MAPK1 (0.37) ALDH1A1ALOX15ESR1ESR2MAPK1
Hydroxyamine SCHEMBL9901947 0.80 ALDH1A1 (0.35) ALDH1A1ALOX15ESR1ESR2MAPK1
SCHEMBL704188 0.79 MAPK1 (0.36) ALDH1A1ALOX15ESR1ESR2MAPK1
SCHEMBL31318429 0.77 MAPK1 (0.34) ALDH1A1ALOX15ESR1ESR2MAPK1
SCHEMBL707572 0.77 MAPK1 (0.34) ALDH1A1ALOX15ESR1ESR2MAPK1
SCHEMBL4835281 0.77 MAPK1 (0.34) ALDH1A1ALOX15ESR1ESR2MAPK1
SCHEMBL19720997 0.77 MAPK1 (0.34) ALDH1A1ALOX15ESR1ESR2MAPK1
SCHEMBL707090 0.77 MAPK1 (0.34) ALDH1A1ALOX15ESR1ESR2MAPK1
SCHEMBL26964680 0.77 MAPK1 (0.34) ALDH1A1ALOX15ESR1ESR2MAPK1

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
US-10314922-B2 Trimaleimide linkers and uses thereof NEWBIO THERAPEUTICS, INC. (CN) 2019-06-11 US disclosed
US-20180147295-A1 Trimaleimide Linkers and Uses Thereof NEWBIO THERAPEUTICS, INC. (CN) 2018-05-31 US disclosed
US-9670266-B2 Method and composition for crystallizing G protein-coupled receptors THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2017-06-06 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-20180147295-A1 Trimaleimide Linkers and Uses Thereof TXLNA, TRIM59, NAALAD2 ALDH1A1 952/4885ALOX15 3205/4885ESR1 3993/4885
US-10314922-B2 Trimaleimide linkers and uses thereof TXLNA, NAALAD2, TTL ALDH1A1 1012/4885ALOX15 3539/4885ESR1 4233/4885

“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.