SCHEMBL5852167

SCHEMBL5852167

C=CCC[SiH](CF)c1ccccc1

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CYP2C19 P33261 1/20 0.31
IDH1 O75874 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
SCHEMBL14956732 0.81 ALDH1A1 (0.31) ALDH1A1L3MBTL1CYP2C19IDH1
SCHEMBL14956800 0.79 ALDH1A1 (0.30) ALDH1A1L3MBTL1CYP2C19
SCHEMBL28014249 0.77 ALDH1A1 (0.32) ALDH1A1L3MBTL1
SCHEMBL9862807 0.75 ALDH1A1 (0.34) ALDH1A1L3MBTL1CYP2C19IDH1
SCHEMBL9715861 0.72 ALDH1A1 (0.33) ALDH1A1L3MBTL1IDH1
SCHEMBL8770165 0.72 ALDH1A1 (0.33) ALDH1A1L3MBTL1IDH1
SCHEMBL15848029 0.72 ALDH1A1 (0.36) ALDH1A1L3MBTL1CYP2C19IDH1
SCHEMBL5854140 0.71 FAAH (0.32)
SCHEMBL860549 0.70 CYP2C19 (0.36) ALDH1A1CYP2C19
Fluoride SCHEMBL27912992 0.69 CYP2C19 (0.35) ALDH1A1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7087776-B2 Silanol enzyme inhibitors RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2006-08-08 US disclosed
US-6960678-B2 Silanol enzyme inhibitors THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2005-11-01 US disclosed
EP-1019533-B1 SILANOL ENZYME INHIBITORS UNIV NEW YORK STATE RES FOUND (US) 2005-09-21 EP disclosed
US-20050171059-A1 Silanol enzyme inhibitors RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK. 2005-08-04 US disclosed
US-6441212-B1 SILANEDIOL TRIMER OR LARGER MOIETY CONTAINING AT LEAST ONE AMINO OR AMIDO GROUP; ISOSTERES THAT ASPARTIC PROTEASES ACT UPON; NOT CLEAVED UNDER ENZYMATIC CONDITIONS; HUMAN IMMUNODEFICIENCY VIRUS RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK 2002-08-27 US disclosed
US-5760019-A INHIBIT PROTEASE ENZYMES THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1998-06-02 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 (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-20050171059-A1 Silanol enzyme inhibitors CMA1, CTSS, SERPINB1 ALDH1A1 830/4885L3MBTL1 1632/4885CYP2C19 624/4885

“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.