SCHEMBL21117420

SCHEMBL21117420

CCO[Si](C)(CCC/N=C/c1ccc(/C=N/CCC[Si](C)(OCC)OCC)cc1)OCC

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.33
ALOX15 P16050 1/20 0.32
TAAR1 Q96RJ0 2/20 0.32
MEN1 O00255 1/20 0.32
CA2 P00918 5/20 0.32
CA1 P00915 3/20 0.31
CA9 Q16790 3/20 0.31
CA12 O43570 2/20 0.31
CA7 P43166 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
SCHEMBL29331693 0.95 ALDH1A1 (0.39) ALDH1A1KMT2AKDM4ESMN1; SMN2ALOX15
SCHEMBL26370525 0.94 ALDH1A1 (0.39) ALDH1A1KMT2AKDM4ESMN1; SMN2
SCHEMBL1996638 0.90 ALDH1A1 (0.41) ALDH1A1KMT2AKDM4ESMN1; SMN2ALOX15
Dimethylamine SCHEMBL1996640 0.88 CA2 (0.37) ALDH1A1KMT2AKDM4ESMN1; SMN2TAAR1
SCHEMBL21117418 0.88 CA1 (0.36) ALDH1A1KMT2AKDM4ESMN1; SMN2ALOX15
SCHEMBL20960341 0.87 ALDH1A1 (0.34) ALDH1A1KMT2AKDM4E
SCHEMBL21117164 0.87 ALDH1A1 (0.36) ALDH1A1KMT2AKDM4E
SCHEMBL22317361 0.86 ALDH1A1 (0.44) ALDH1A1KMT2AKDM4ESMN1; SMN2TAAR1
SCHEMBL5682361 0.86 ALDH1A1 (0.44) ALDH1A1KMT2AKDM4ESMN1; SMN2TAAR1
SCHEMBL21117421 0.84 CA12 (0.44) KDM4ECA2CA1CA9CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12043741-B2 Conjugated diene-based polymer composition and tire ASAHI KASEI KABUSHIKI KAISHA (JP) 2024-07-23 US disclosed
US-20230312889-A1 POLYMER COMPOSITION, METHOD FOR PRODUCING SAME, FORMULATION, CROSSLINKED PRODUCT, AND TIRE ENEOS MATERIALS CORPORATION (JP) 2023-10-05 US disclosed
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 ALDH1A1 260/4885KMT2A 1043/4885KDM4E 2762/4885
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 ALDH1A1 263/4885KMT2A 1250/4885KDM4E 3286/4885

“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.