SCHEMBL487220

SCHEMBL487220

CC(=O)OCC(C)(OC(C)=O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
HIF1A Q16665 2/20 0.46
CYP2C19 P33261 1/20 0.46
KMT2A Q03164 2/20 0.39
ACSS2 Q9NR19 2/20 0.39
MAPT P10636 1/20 0.39
KCNN4 O15554 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
ALOX15 P16050 1/20 0.37
MAPK1 P28482 2/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37

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
SCHEMBL16382772 0.86 CYP2C19 (0.46) ALDH1A1HIF1ACYP2C19KMT2AMAPT
SCHEMBL18408916 0.82 CYP2C19 (0.48) ALDH1A1HIF1ACYP2C19KMT2AMAPT
SCHEMBL5571854 0.82 CYP2C19 (0.48) ALDH1A1HIF1ACYP2C19KMT2AMAPT
SCHEMBL111213 0.80 ALDH1A1 (0.50) ALDH1A1HIF1ACYP2C19KMT2AACSS2
SCHEMBL11057962 0.79 CYP2C19 (0.46) ALDH1A1HIF1ACYP2C19KMT2AMAPT
SCHEMBL11745178 0.79 MAPT (0.43) ALDH1A1CYP2C19MAPTCYP1A2TDP1
SCHEMBL11752749 0.79 ALDH1A1 (0.39) ALDH1A1HIF1ACYP2C19KMT2AACSS2
SCHEMBL9189254 0.78 ALDH1A1 (0.52) ALDH1A1HIF1ACYP2C19KMT2AACSS2
SCHEMBL10780734 0.78 ALDH1A1 (0.52) ALDH1A1HIF1ACYP2C19KMT2AACSS2
SCHEMBL11753871 0.77 PPARA (0.50) ALDH1A1CYP2C19KMT2AMAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130338363-A1 SILANE COMPOUND, PRODUCTION METHOD THEREOF, AND RESIN COMPOSITION CONTAINING SILANE COMPOUND NIPPON SHOKUBAI CO., LTD. (JP) 2013-12-19 US disclosed
US-8541532-B2 Silane compound, production method thereof, and resin composition containing silane compound NIPPON SHOKUBAI CO., LTD. (JP) 2013-09-24 US disclosed
EP-2180019-B1 Resin composition, method of its composition, and cured formulation NIPPON CATALYTIC CHEM IND (JP) 2012-02-01 EP disclosed
US-20100317774-A1 SILANE COMPOUND, PRODUCTION METHOD THEREOF, AND RESIN COMPOSITION CONTAINING SILANE COMPOUND NIPPON SHOKUBAI CO., LTD (JP) 2010-12-16 US disclosed
US-7723407-B2 mixing a phenolic compound containing the inorganic microfine particle(SiO2) and a compound containing at least one of the glycidyl group and/or an epoxy group containing the inorganic microfine particle; fireproofing; good mechanical properties; heat resistance; automobiles, construction, electronics NIPPON SHOKUBAI CO., LTD. (JP) 2010-05-25 US disclosed
EP-2180019-A1 Resin composition, method of its composition, and cured formulation Nippon Shokubai Co., Ltd. (JP) 2010-04-28 EP disclosed
US-7601775-B2 Fire retardant resin composition, method of its production, shaped articles comprising the same, and silica NIPPON SHOKUBAI CO., LTD. (JP) 2009-10-13 US disclosed
US-20090010603-A1 Resin Composition for Optical Packaging Material and Process for Preparing the Same, and Optical Packaging Material, Optical Packaging Component, and Optical Module NIPPON SHOKUBAI CO., LTD. (JP) 2009-01-08 US disclosed
WO-2008099904-A1 SILANE COMPOUND, PRODUCTION METHOD THEREOF, AND RESIN COMPOSITION CONTAINING SILANE COMPOUND NIPPON SHOKUBAI CO., LTD. (JP) 2008-08-21 WO disclosed
US-20060167164-A1 Fire retardant resin composition, method of its production, shaped articles comprising the same, and silica NIPPON SHOKUBAI CO., LTD. (JP) 2006-07-27 US disclosed
WO-2006038735-A1 RESIN COMPOSITION FOR OPTICAL PACKAGING MATERIAL AND PROCESS FOR PREPARING THE SAME, AND OPTICAL PACKAGING MATERIAL, OPTICAL PACKAGING COMPONENT, AND OPTICAL MODULE NIPPON SHOKUBAI CO., LTD. (JP) 2006-04-13 WO disclosed
EP-1626065-A1 Resin composition, method of its composition, and cured formulation Nippon Shokubai Co., Ltd. (JP) 2006-02-15 EP disclosed
US-20060029811-A1 mixing a phenolic compound containing the inorganic microfine particle(SiO2) and a compound containing at least one of the glycidyl group and/or an epoxy group containing the inorganic microfine particle; fireproofing; good mechanical properties; heat resistance; automobiles, construction, electronics NIPPON SHOKUBAI CO., LTD. (JP) 2006-02-09 US disclosed
EP-1507829-A1 FIRE RETARDANT RESIN COMPOSITION, METHOD OF ITS PRODUCTION, SHAPED ARTICLES COMPRISING THE SAME, AND SILICA Nippon Shokubai Co., Ltd. (JP) 2005-02-23 EP disclosed
WO-2003099934-A1 FIRE RETARDANT RESIN COMPOSITION, METHOD OF ITS PRODUCTION, SHAPED ARTICLES COMPRISING THE SAME, AND SILICA NIPPON SHOKUBAI CO., LTD. (JP) 2003-12-04 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-20100317774-A1 SILANE COMPOUND, PRODUCTION METHOD THEREOF, AND RESIN COMPOSITION CONTAINING SILANE COMPOUND PIEZO1, ORAI2, ARID2 ALDH1A1 1779/4885HIF1A 708/4885CYP2C19 2243/4885
US-20130338363-A1 SILANE COMPOUND, PRODUCTION METHOD THEREOF, AND RESIN COMPOSITION CONTAINING SILANE COMPOUND ZYX, NOX3, NOXO1 ALDH1A1 1943/4885HIF1A 1945/4885CYP2C19 3096/4885

“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.