SCHEMBL547897

SCHEMBL547897

COC(=O)C1(CCCCO[Si](C(C)C)(C(C)C)C(C)C)Cc2ccccc21

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.35
TACR1 P25103 1/20 0.33
TACR3 P29371 1/20 0.33
ALDH1A1 P00352 2/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL3133360 0.88 MMP1 (0.32) MMP1
SCHEMBL14968487 0.73 L3MBTL1 (0.41) MMP1TACR1TACR3ALDH1A1
SCHEMBL547428 0.66 MEN1 (0.44) ALDH1A1
SCHEMBL5787959 0.64 NAMPT (0.45) TACR1TACR3ALDH1A1
SCHEMBL27045431 0.63 TACR1 (0.54) MMP1TACR1TACR3
SCHEMBL7055861 0.63 NAAA (0.56) ALDH1A1
SCHEMBL19647091 0.62 CXCR5 (0.37) MMP1ALDH1A1
SCHEMBL24481837 0.61 TACR1 (0.46) MMP1TACR1TACR3
SCHEMBL16974097 0.61 HTR2A (0.30)
SCHEMBL23501267 0.61 CYP4A11 (0.54) ALDH1A1GAA

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-8288581-B2 Process for the preparation of functionalised benzocyclobutenes, and application in the synthesis of ivabradine and addition salts thereof with a pharmaceutically acceptable acid LES LABORATOIRES SERVIER (FR) 2012-10-16 US disclosed
US-20120116112-A1 PROCESS FOR THE PREPARATION OF FUNCTIONALISED BENZOCYCLOBUTENES, AND APPLICATION IN THE SYNTHESIS OF IVABRADINE AND ADDITION SALTS THEREOF WITH A PHARMACEUTICALLY ACCEPTABLE ACID LES LABORATOIRES SERVIER (FR) 2012-05-10 US disclosed
US-8110701-B2 Process for the preparation of functionalised benzocyclobutenes, and application in the synthesis of ivabradine and addition salts thereof with a pharmaceutically acceptable acid LES LABORATOIRES SERVIER (FR) 2012-02-07 US disclosed
US-20100016580-A1 Process for the preparation of functionalised benzocyclobutenes, and application in the synthesis of ivabradine and addition salts thereof with a pharmaceutically acceptable acid LES LABORATOIRES SERVIER (FR) 2010-01-21 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-20100016580-A1 Process for the preparation of functionalised benzocyclobutenes, and application in the synthesis of ivabradine and addition salts thereof with a pharmaceutically acceptable acid BDKRB2, HRH2, C1R MMP1 2392/4885TACR1 391/4885TACR3 873/4885
US-20120116112-A1 PROCESS FOR THE PREPARATION OF FUNCTIONALISED BENZOCYCLOBUTENES, AND APPLICATION IN THE SYNTHESIS OF IVABRADINE AND ADDITION SALTS THEREOF WITH A PHARMACEUTICALLY ACCEPTABLE ACID CYP4F2, CYP2B6, CYP4F8 MMP1 2923/4885TACR1 588/4885TACR3 2284/4885

“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.