SCHEMBL5497935

SCHEMBL5497935

CC(C)[Si](c1ccccc1O)(C(C)C)C(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.44
GABRB2 P47870 1/20 0.44
CA2 P00918 6/20 0.41
ALDH1A1 P00352 6/20 0.41
TDP1 Q9NUW8 4/20 0.41
ALOX15 P16050 4/20 0.41
KDM4E B2RXH2 4/20 0.41
HPGD P15428 4/20 0.41
LMNA P02545 4/20 0.41
MAPT P10636 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 3/20 0.41
HSD17B10 Q99714 3/20 0.41
CA12 O43570 2/20 0.41
CA14 Q9ULX7 2/20 0.41
POLB P06746 2/20 0.41
CYP3A4 P08684 2/20 0.41
CA5A P35218 2/20 0.41
CA4 P22748 2/20 0.41
EGFR P00533 2/20 0.41

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
SCHEMBL18796080 0.79 GABRA1 (0.43) GABRA1GABRB2CA2ALDH1A1TDP1
SCHEMBL987729 0.73 ACHE (0.43) CA2ALDH1A1TDP1SMN1; SMN2NPC1
SCHEMBL5952303 0.73 ENPP2 (0.39) MAPTCA14CA5ACA4CA5B
SCHEMBL78717 0.72 ALDH1A1 (0.47) GABRA1GABRB2CA2ALDH1A1TDP1
SCHEMBL4305951 0.72 GABRA1 (0.35) GABRA1GABRB2CA2HPGDLMNA
SCHEMBL10340777 0.72 ALDH1A1 (0.47) GABRA1GABRB2CA2ALDH1A1TDP1
SCHEMBL2543212 0.71 ALDH1A1 (0.53) GABRA1GABRB2CA2ALDH1A1TDP1
SCHEMBL18692002 0.70 ALDH1A1 (0.45) GABRA1GABRB2CA2ALDH1A1TDP1
SCHEMBL18796466 0.70 TSHR (0.39) GABRA1GABRB2CA2ALDH1A1TDP1
SCHEMBL989253 0.70 TRPA1 (0.39) CA2ALDH1A1LMNAMAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190127397-A1 Complexes for Nucleophilic, Radical, and Electrophilic Polyfluoroalkylation THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2019-05-02 US disclosed
WO-2017223406-A1 COMPLEXES FOR NUCLEOPHILIC, RADICAL, AND ELECTROPHILIC POLYFLUOROALKYLATION THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2017-12-28 WO disclosed
US-9408926-B2 KDR and VEGF/KDR binding peptides and their use in diagnosis and therapy BRACCO SUISSE S.A. (CH) 2016-08-09 US disclosed
US-20140161732-A1 KDR AND VEGF/KDR BINDING PEPTIDES AND THEIR USE IN DIAGNOSIS AND THERAPY BRACCO SUISSE S.A. (CH) 2014-06-12 US disclosed
EP-1482987-A4 MULTIVALENT CONSTRUCTS FOR THERAPEUTIC AND DIAGNOSTIC APPLICATIONS BRACCO INT BV (NL) 2007-03-07 EP disclosed
EP-1482987-A1 MULTIVALENT CONSTRUCTS FOR THERAPEUTIC AND DIAGNOSTIC APPLICATIONS BRACCO INTERNATIONAL B.V. (NL) 2004-12-08 EP disclosed
WO-2003084574-A1 MULTIVALENT CONSTRUCTS FOR THERAPEUTIC AND DIAGNOSTIC APPLICATIONS BRACCO INTERNATIONAL BV (NL) 2003-10-16 WO 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-20190127397-A1 Complexes for Nucleophilic, Radical, and Electrophilic Polyfluoroalkylation NBAS, PFAS, PCBP1 GABRA1 328/4885GABRB2 387/4885CA2 3218/4885

“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.