SCHEMBL3376502

SCHEMBL3376502

C=CC(=O)OCCC[Si](C)(C)O[SiH3]

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.55
ALDH1A1 P00352 4/20 0.55
CYP3A4 P08684 2/20 0.55
HPGD P15428 1/20 0.55
TP53 P04637 3/20 0.46
HIF1A Q16665 3/20 0.46
HSD17B10 Q99714 1/20 0.46
THRB P10828 2/20 0.39
ATM Q13315 1/20 0.36
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HCAR2 Q8TDS4 3/20 0.33

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
SCHEMBL6691949 0.89 TSHR (0.50) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL332090 0.86 TSHR (0.59) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL374776 0.84 TSHR (0.57) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL7508187 0.84 TSHR (0.57) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL81411 0.84 TSHR (0.57) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL14175495 0.83 TSHR (0.55) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL308812 0.82 TSHR (0.63) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL26187833 0.82 TSHR (0.63) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL10538686 0.81 ATM (0.43) TSHRALDH1A1CYP3A4HPGDATM
SCHEMBL7511191 0.81 TSHR (0.53) TSHRALDH1A1CYP3A4HPGDTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2477487-A2 AQUEOUS DISPERSIONS CONTAINING ANTIMICROBIALS IN A HYBRID NETWORK BASF SE (DE) 2012-07-25 EP claimed
EP-2477487-A2 AQUEOUS DISPERSIONS CONTAINING ANTIMICROBIALS IN A HYBRID NETWORK BASF SE (DE) 2012-07-25 EP disclosed
WO-2010049316-A1 COMPOSITION CONTAINING ANTIMICROBIALS IN A HYBRID NETWORK BASF SE (DE) 2010-05-06 WO disclosed
US-20060105047-A1 Novel prepolymers useful in biomedical devices BAUSCH & LOMB INCORPORATED (US) 2006-05-18 US disclosed
US-20050100579-A1 Novel prepolymers useful in biomedical devices BAUSCH & LOMB INCORPORATED (US) 2005-05-12 US disclosed
US-20030157141-A1 Novel prepolymers useful in biomedical devices BAUSCH & LOMB INCORPORATED (US) 2003-08-21 US disclosed
US-6596294-B2 Oxygen permeability and superior physical properties, contact lenses BAUSCH & LOMB INCORPORATED 2003-07-22 US disclosed
US-20020037271-A1 Novel prepolymers useful in biomedical devices BAUSCH & LOMB INCORPORATED 2002-03-28 US disclosed
EP-0219312-B1 Improved fluorine containing polymeric compositions useful in contact lenses POLYMER TECHNOLOGY CORP (US) 1995-12-20 EP disclosed
EP-0424099-B1 Method of Preparing Polymeric Compositions for Oxygen Permeable Contact Lenses POLYMER TECHNOLOGY CORP (US) 1995-10-04 EP disclosed
EP-0559828-A1 HARD SEGMENT SIZE CONTROL IN POLYURETHANE FORMATION. BAUSCH & LOMB (US) 1993-09-15 EP disclosed
US-5177168-A Copolymer of an unsaturated carboxylic acid ester POLYMER TECHNOLOGY CORP. (US) 1993-01-05 US disclosed
US-5128434-A Contact lenses BAUSCH & LOMB INCORPORATED (US) 1992-07-07 US disclosed
WO-1992009646-A1 HARD SEGMENT SIZE CONTROL IN POLYURETHANE FORMATION BAUSCH & LOMB INCORPORATED (US) 1992-06-11 WO disclosed
EP-0424099-A2 Method of Preparing Polymeric Compositions for Oxygen Permeable Contact Lenses POLYMER TECHNOLOGY CORPORATION (US) 1991-04-24 EP disclosed
US-4996275-A With silicon group-substituted addition polymers; oxygen permeability, hydrophilic, deposit resistance POLYMER TECHNOLOGY CORPORATION (US) 1991-02-26 US disclosed
EP-0401990-A2 Prepolymers useful in biomedical devices BAUSCH & LOMB INCORPORATED (US) 1990-12-12 EP disclosed
US-4861807-A Radiation-crosslinkable compositions WACKER-CHEMIE GMBH (DE) 1989-08-29 US disclosed
US-4686267-A Fluorine containing polymeric compositions useful in contact lenses POLYMER TECHNOLOGY CORPORATION (US) 1987-08-11 US disclosed
EP-0219312-A2 Improved fluorine containing polymeric compositions useful in contact lenses POLYMER TECHNOLOGY CORPORATION (US) 1987-04-22 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 (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-20020037271-A1 Novel prepolymers useful in biomedical devices TMEM63A, ECPAS, COL2A1 TSHR 4883/4885ALDH1A1 2362/4885CYP3A4 3268/4885
US-20060105047-A1 Novel prepolymers useful in biomedical devices TMEM63A, ECPAS, COL2A1 TSHR 4883/4885ALDH1A1 2362/4885CYP3A4 3268/4885

“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.