SCHEMBL21732223

SCHEMBL21732223

C=CS(C)(C)N(Cc1ccccc1)S(C)(C)C=C

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.45
ALDH1A1 P00352 3/20 0.45
AOC3 Q16853 1/20 0.42
G6PC1 P35575 2/20 0.40
SERPINE1 P05121 1/20 0.40
NR3C2 P08235 1/20 0.39
GAA P10253 1/20 0.39
CA2 P00918 1/20 0.38
CNR2 P34972 1/20 0.38
CARM1 Q86X55 1/20 0.37
PRMT6 Q96LA8 1/20 0.37
PRMT8 Q9NR22 1/20 0.37
CYP2C19 P33261 1/20 0.37
NPC1 O15118 1/20 0.37
GLA P06280 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
PAX8 Q06710 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL22733727 0.84 CA2 (0.47) TSHRALDH1A1AOC3NR3C2GAA
SCHEMBL19828531 0.79 CHRNB2 (0.54) ALDH1A1G6PC1
SCHEMBL19828334 0.75 AOC3 (0.39) TSHRALDH1A1AOC3NR3C2GAA
SCHEMBL8962569 0.72 CA1 (0.41) TSHRALDH1A1CA2
SCHEMBL2492170 0.72 TSHR (0.53) TSHRALDH1A1AOC3SERPINE1NR3C2
SCHEMBL21732139 0.70 ALDH1A1 (0.35) TSHRALDH1A1NR3C2CA2HTT
Propene SCHEMBL11059048 0.70 CNR2 (0.53) TSHRALDH1A1AOC3GAACNR2
SCHEMBL20679705 0.69 ALDH1A1 (0.45) TSHRALDH1A1AOC3NR3C2CA2
SCHEMBL1536053 0.68 TSHR (0.56) TSHRALDH1A1AOC3GAACA2
SCHEMBL10465453 0.68 APLNR (0.62) TSHRALDH1A1CA2CNR2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200055881-A1 MULTIVINYLAMINOSILANES AS BRANCHING AGENTS FOR FUNCTIONALIZED ELASTOMERIC POLYMERS TRINSEO EUROPE GMBH (CH) 2020-02-20 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-20200055881-A1 MULTIVINYLAMINOSILANES AS BRANCHING AGENTS FOR FUNCTIONALIZED ELASTOMERIC POLYMERS PRUNE1, GNE, TERB1 TSHR 2887/4885ALDH1A1 2357/4885AOC3 2423/4885

“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.