SCHEMBL3406058

SCHEMBL3406058

FC(F)[SiH2]c1ccccc1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MGLL Q99685 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CYP3A4 P08684 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL702930 0.84
SCHEMBL28604611 0.78 TAAR1 (0.36) TDP1
SCHEMBL5420712 0.75 MAPT (0.35) MAPTHPGDSMN1; SMN2MGLLHSD17B10
SCHEMBL379621 0.71 TSHR (0.41) MAPTHPGDSMN1; SMN2MGLLHSD17B10
SCHEMBL8649739 0.71 CA4 (0.35) MAPTHPGDSMN1; SMN2MGLLHSD17B10
SCHEMBL28804974 0.71 TSHR (0.41) MAPTHPGDSMN1; SMN2MGLLHSD17B10
SCHEMBL780943 0.71 TAAR1 (0.39) TDP1
SCHEMBL2530002 0.69 DPP4 (0.39)
Water SCHEMBL28841261 0.69 TSHR (0.39) MAPTHPGDSMN1; SMN2MGLLHSD17B10
SCHEMBL23701261 0.68 L3MBTL1 (0.39)

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2011834-B1 CURABLE COMPOSITION KANEKA CORP (JP) 2012-07-25 EP claimed
CN-107428891-B Curable composition 施敏打硬株式会社 2021-04-20 CN disclosed
CN-108140887-B Nonaqueous electrolyte solution and nonaqueous electrolyte secondary battery 株式会社艾迪科 2021-03-12 CN disclosed
CN-105392845-B Photocurable composition 思美定株式会社 2020-10-20 CN disclosed
EP-3081612-B1 PHOTOCURABLE COMPOSITION HAVING ADHESIVE PROPERTIES CEMEDINE CO LTD (JP) 2018-11-14 EP disclosed
CN-107428891-A Curable composition 施敏打硬株式会社 2017-12-01 CN disclosed
US-9718999-B2 Photocurable composition having adhesive properties CEMEDINE CO., LTD (JP) 2017-08-01 US disclosed
US-20160312089-A1 PHOTOCURABLE COMPOSITION HAVING ADHESIVE PROPERTIES CEMEDINE CO., LTD. (JP) 2016-10-27 US disclosed
EP-3081612-A1 PHOTOCURABLE COMPOSITION HAVING ADHESIVE PROPERTIES Cemedine Co., Ltd. (JP) 2016-10-19 EP disclosed
US-20160152783-A1 PHOTOCURABLE COMPOSITION CEMEDINE CO., LTD. (JP) 2016-06-02 US disclosed
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-20030096793-A1 Inhibit protease enzymes; Benzyl 5-(benzoylamino)-4,4-dihydroxy-7- methyl-4-sila-octanamide, for example can be used to inhibit HIV protease in the treatment of AIDS RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK 2003-05-22 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
EP-1019533-A4 SILANOL ENZYME INHIBITORS UNIV NEW YORK STATE RES FOUND (US) 2001-07-25 EP disclosed
EP-1019533-A1 SILANOL ENZYME INHIBITORS THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2000-07-19 EP disclosed
US-5760019-A INHIBIT PROTEASE ENZYMES THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1998-06-02 US disclosed
WO-1998002578-A1 SILANOL ENZYME INHIBITORS THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1998-01-22 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 (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-20030096793-A1 Inhibit protease enzymes; Benzyl 5-(benzoylamino)-4,4-dihydroxy-7- methyl-4-sila-octanamide, for example can be used to inhibit HIV protease in the treatment of AIDS CTSE, CTSS, DNPEP MAPT 4681/4885HPGD 1353/4885SMN1; SMN2 4548/4885
US-20050171059-A1 Silanol enzyme inhibitors CMA1, CTSS, SERPINB1 MAPT 4747/4885HPGD 1121/4885SMN1; SMN2 3473/4885

“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.