SCHEMBL21117418

SCHEMBL21117418

CCO[Si](C)(CCC/N=C/c1cccc(/C=N/CCC[Si](C)(OCC)OCC)c1)OCC

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.34
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 2/20 0.33
ALOX15 P16050 1/20 0.32
KMT2A Q03164 1/20 0.32
CHRM5 P08912 1/20 0.32
SHBG P04278 1/20 0.32
NPC1 O15118 1/20 0.31
CASP3 P42574 1/20 0.31
SENP8 Q96LD8 1/20 0.31
SENP7 Q9BQF6 1/20 0.31
SENP6 Q9GZR1 1/20 0.31
LMNA P02545 1/20 0.30
HTT P42858 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
SCHEMBL26370528 0.95 CA1 (0.33) CA1CA2CA7CA9SMN1; SMN2
SCHEMBL21117420 0.88 ALDH1A1 (0.42) CA1CA2CA7CA9SMN1; SMN2
Dimethylamine SCHEMBL1996640 0.86 CA2 (0.37) CA1CA2CA9SMN1; SMN2ALDH1A1
SCHEMBL26370527 0.85 CA1 (0.34) CA1CA2CA7CA9SMN1; SMN2
SCHEMBL29331693 0.84 ALDH1A1 (0.39) CA2SMN1; SMN2ALDH1A1KDM4EALOX15
SCHEMBL26370525 0.82 ALDH1A1 (0.39) SMN1; SMN2ALDH1A1KDM4EKMT2A
SCHEMBL21117421 0.82 CA12 (0.44) CA1CA2CA7CA9KDM4E
SCHEMBL29331562 0.82
SCHEMBL20960341 0.79 ALDH1A1 (0.34) ALDH1A1KDM4EKMT2A
SCHEMBL1996638 0.79 ALDH1A1 (0.41) CA1CA2CA9SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10894876-B2 Method for producing modified conjugated diene-based polymer, modified conjugated diene-based polymer, polymer composition, crosslinked body, tire and compound JSR CORPORATION (JP) 2021-01-19 US disclosed
US-20190194430-A1 METHOD FOR PRODUCING MODIFIED CONJUGATED DIENE-BASED POLYMER, MODIFIED CONJUGATED DIENE-BASED POLYMER, POLYMER COMPOSITION, CROSSLINKED BODY, TIRE AND COMPOUND JSR CORPORATION (JP) 2019-06-27 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-10894876-B2 Method for producing modified conjugated diene-based polymer, modified conjugated diene-based polymer, polymer composition, crosslinked body, tire and compound IGF1R, PHOSPHO1, GAR1 CA1 169/4885CA2 1394/4885CA7 498/4885
US-20190194430-A1 METHOD FOR PRODUCING MODIFIED CONJUGATED DIENE-BASED POLYMER, MODIFIED CONJUGATED DIENE-BASED POLYMER, POLYMER COMPOSITION, CROSSLINKED BODY, TIRE AND COMPOUND IGF1R, PHOSPHO1, GAR1 CA1 120/4885CA2 1266/4885CA7 443/4885

“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.