SCHEMBL21117419

SCHEMBL21117419

CCO[Si](CCC/N=C/c1ccccc1/C=N/CCC[Si](OCC)(OCC)OCC)(OCC)OCC

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA12 O43570 7/20 0.46
CA2 P00918 6/20 0.46
CA9 Q16790 5/20 0.46
KDM4E B2RXH2 2/20 0.41
CA1 P00915 1/20 0.35
CA7 P43166 1/20 0.35
CYP1A2 P05177 2/20 0.32
CYP2C19 P33261 2/20 0.32
CYP2D6 P10635 1/20 0.32
MAPT P10636 2/20 0.31
NPC1 O15118 2/20 0.31
KMT2A Q03164 1/20 0.31
ALDH1A1 P00352 2/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
USP2 O75604 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
SCHEMBL29331551 0.94 CA12 (0.41) CA12CA2CA9KDM4ECA1
SCHEMBL31422588 0.90 CA12 (0.64) CA12CA2CA9KDM4ECA1
SCHEMBL23809558 0.89 CA12 (0.38) CA12CA2CA9KDM4E
SCHEMBL21117421 0.87 CA12 (0.44) CA12CA2CA9KDM4ECA1
SCHEMBL1259701 0.85 CA2 (0.41) CA12CA2CA9KDM4ECA1
SCHEMBL12250807 0.85 CA2 (0.41) CA12CA2CA9KDM4ECA1
SCHEMBL1259700 0.85 CA2 (0.41) CA12CA2CA9KDM4ECA1
SCHEMBL9876664 0.84 CA12 (0.67) CA12KDM4EMAPTNPC1KMT2A
SCHEMBL29331554 0.83 CA12 (0.41) CA12CA2CA9KDM4ECA1
SCHEMBL22317361 0.83 ALDH1A1 (0.44) CA12CA2CA9KDM4ECA1

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 CA12 375/4885CA2 1394/4885CA9 1303/4885
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 CA12 289/4885CA2 1266/4885CA9 1244/4885

“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.