SCHEMBL6544760

SCHEMBL6544760

C[Si](C)(C)CCCOC1CCN(c2ccc(N)cc2)C1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LIPC P11150 1/20 0.38
LIPG Q9Y5X9 1/20 0.38
MCHR1 Q99705 1/20 0.36
KDM4E B2RXH2 2/20 0.36
GAA P10253 2/20 0.36
MAPT P10636 2/20 0.36
GFER P55789 2/20 0.36
RAD52 P43351 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
FFAR4 Q5NUL3 3/20 0.36
ACACB O00763 9/20 0.36
ALDH1A1 P00352 1/20 0.36
ADRA2C P18825 1/20 0.36
KMT2A Q03164 1/20 0.36
PTK2B Q14289 1/20 0.36
ESR2 Q92731 1/20 0.36
DPP4 P27487 4/20 0.35

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
Hydrochloric Acid SCHEMBL6761631 0.99 LIPC (0.37) LIPCLIPGMCHR1KDM4EGAA
SCHEMBL6543991 0.83 FFAR4 (0.40) LIPCLIPGMCHR1FFAR4ACACB
SCHEMBL6544420 0.83 LIPG (0.36) LIPCLIPGMCHR1FFAR4ACACB
SCHEMBL6544772 0.82 MAPT (0.46) MAPTSMN1; SMN2ALDH1A1KMT2A
SCHEMBL3644145 0.80 HRH3 (0.47) KDM4EGAAMAPTRAD52SMN1; SMN2
SCHEMBL2126264 0.79 KDM4E (0.38) MCHR1KDM4EGAAMAPTGFER
SCHEMBL3645553 0.79 HRH3 (0.49) KDM4EGAAMAPTRAD52SMN1; SMN2
Hydrochloric Acid SCHEMBL2541466 0.78 KDM4E (0.37) MCHR1KDM4EGAAMAPTGFER
SCHEMBL3647982 0.77 ALDH1A1 (0.39) MCHR1KDM4EGAAMAPTGFER
SCHEMBL13515137 0.77 KDM4E (0.36) MCHR1KDM4EGAAMAPTGFER

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-20040060127-A1 Composition for dyeing keratin fibers, comprising at least one para-phenylenediamine derivative comprising a pyrrolidyl group substituted with a silyl radical L'OREAL S.A. (FR) 2004-04-01 US claimed
EP-1375480-A1 Para-phenylene-diamine derivatives comprising a silyl substituted pyrrolidine group and their use for the colouring of keratinic fibres L'OREAL (FR) 2004-01-02 EP claimed
US-20040060127-A1 Composition for dyeing keratin fibers, comprising at least one para-phenylenediamine derivative comprising a pyrrolidyl group substituted with a silyl radical L'OREAL S.A. (FR) 2004-04-01 US disclosed
EP-1375480-A1 Para-phenylene-diamine derivatives comprising a silyl substituted pyrrolidine group and their use for the colouring of keratinic fibres L'OREAL (FR) 2004-01-02 EP 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-20040060127-A1 Composition for dyeing keratin fibers, comprising at least one para-phenylenediamine derivative comprising a pyrrolidyl group substituted with a silyl radical KRT18, VIM, CDC73 LIPC 4189/4885LIPG 4555/4885MCHR1 3944/4885

“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.