SCHEMBL113038

SCHEMBL113038

C[Si](C)(C)CSc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
MAPK1 P28482 1/20 0.52
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
FFAR1 O14842 1/20 0.43
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HIF1A Q16665 1/20 0.41
SMN1; SMN2 Q16637 5/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
MGLL Q99685 1/20 0.39
HSD17B10 Q99714 1/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
LMNA P02545 2/20 0.39
MTNR1A P48039 3/20 0.38

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
SCHEMBL2420121 0.86 ALDH1A1 (0.48) ALDH1A1MAPK1MAOAMAOBFFAR1
SCHEMBL29901626 0.79 ALDH1A1 (0.57) ALDH1A1MAPK1MAOAMAOBFFAR1
SCHEMBL15638476 0.76 ALDH1A1 (0.48) ALDH1A1MAPK1MAOAMAOBFFAR1
SCHEMBL8443557 0.76 ESR1 (0.46) ALDH1A1MAPK1CYP1A2CYP3A4CYP2D6
SCHEMBL19611324 0.76 ALDH1A1 (0.43) ALDH1A1MAPK1MAOAMAOBFFAR1
SCHEMBL2420674 0.75 ALDH1A1 (0.52) ALDH1A1MAPK1MAOAMAOBFFAR1
SCHEMBL1956668 0.75 MAOA (0.50) ALDH1A1MAPK1MAOAMAOBFFAR1
SCHEMBL11727752 0.75 ALDH1A1 (0.46) ALDH1A1MAPK1MAOAMAOBFFAR1
SCHEMBL6055062 0.74 ALDH1A1 (0.41) ALDH1A1MAPK1MAOAMAOBFFAR1
Hydrochloric Acid SCHEMBL6054980 0.73 ALDH1A1 (0.40) ALDH1A1MAPK1MAOAMAOBFFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018169112-A1 ELECTROLYTE ADDITIVE FOR LITHIUM SECONDARY BATTERY AND METHOD FOR PREPARING SAME, ELECTROLYTE COMPRISING ADDITIVE AND METHOD FOR PREPARING SAME, AND LITHIUM SECONDARY BATTERY COMPRISING ADDITIVE 울산과학기술원 2018-09-20 WO claimed
US-9006447-B2 Method for preparing substituted isoxazoline compounds and their precursors 4-chloro, 4-bromo- or 4-iodobenzaldehyde oximes BASF SE (DE) 2015-04-14 US claimed
EP-2424862-B1 PROCESS FOR PREPARING SUBSTITUTED ISOXAZOLINE COMPOUNDS AND THEIR PRECURSORS BASF SE (DE) 2014-10-08 EP claimed
US-8853410-B2 Process for preparing substituted isoxazoline compounds and their precursors BASF SE (DE) 2014-10-07 US claimed
EP-2635552-A2 METHOD FOR PREPARING SUBSTITUTED ISOXAZOLINE COMPOUNDS AND THEIR PRECURSORS 4-CHLORO, 4-BROMO- OR 4-IODOBENZALDEHYDE OXIMES BASF SE (DE) 2013-09-11 EP claimed
US-20130225826-A1 Method for preparing substituted isoxazoline compounds and their precursors 4-chloro, 4-bromo- or 4-iodobenzaldehyde oximes BASF SE (DE) 2013-08-29 US claimed
WO-2012059441-A2 METHOD FOR PREPARING SUBSTITUTED ISOXAZOLINE COMPOUNDS AND THEIR PRECURSORS 4-CHLORO, 4-BROMO- OR 4-IODOBENZALDEHYDE OXIMES BASF SE (DE) 2012-05-10 WO claimed
US-20120059171-A1 Process for Preparing Substituted Isoxazoline Compounds and Their Precursors BASF SE (DE) 2012-03-08 US claimed
EP-2424862-A1 PROCESS FOR PREPARING SUBSTITUTED ISOXAZOLINE COMPOUNDS AND THEIR PRECURSORS BASF SE (DE) 2012-03-07 EP claimed
US-20110130482-A1 Process for preparing armatic thiophenyl ketones PRETOR ROGER 2011-06-02 US claimed
WO-2010125130-A1 PROCESS FOR PREPARING SUBSTITUTED ISOXAZOLINE COMPOUNDS AND THEIR PRECURSORS BASF SE (DE) 2010-11-04 WO claimed
US-7622526-B2 Thermoset material based on antiplasticizing polythiourethane and ophthalmic lens comprising an antiplasticized thermoset material ESSILOR INTERNATIONAL (FR) 2009-11-24 US claimed
EP-1670852-B1 THERMOSETTING MATERIAL BASED ON ANTIPLASTICIZED POLYTHIOURETHANE, AND OPHTHALMIC LENS COMPRISING AN ANTIPLASTICIZED THERMOSETTING MATERIAL ESSILOR INT (FR) 2008-12-10 EP claimed
EP-1799638-B1 PROCESS FOR PREPARING AROMATIC THIOPHENYL KETONES CIBA HOLDING INC (CH) 2008-07-30 EP claimed
EP-1799638-A1 PROCESS FOR PREPARING AROMATIC THIOPHENYL KETONES CIBA SPECIALTY CHEMICALS HOLDING INC. Patent Departement (CH) 2007-06-27 EP claimed
JP-2007507574-A 2007-03-29 JP claimed
US-20060270771-A1 Thermoset material based on antiplasticizing polythiourethane and ophthalmic lens comprising an antiplasticized thermoset material ESSILOR INTERNATIONAL COMPAGNIE GENERALE D'OPTIQUE (FR) 2006-11-30 US claimed
EP-1670852-A1 THERMOSETTING MATERIAL BASED ON ANTIPLASTICIZED POLYTHIOURETHANE, AND OPHTHALMIC LENS COMPRISING AN ANTIPLASTICIZED THERMOSETTING MATERIAL ESSILOR INTERNATIONAL COMPAGNIE GENERALE D'OPTIQUE (FR) 2006-06-21 EP claimed
WO-2006034966-A1 PROCESS FOR PREPARING AROMATIC THIOPHENYL KETONES CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2006-04-06 WO claimed
WO-2005033190-A1 THERMOSETTING MATERIAL BASED ON ANTIPLASTICIZED POLYTHIOURETHANE, AND OPHTHALMIC LENS COMPRISING AN ANTIPLASTICIZED THERMOSETTING MATERIAL ESSILOR INTERNATIONAL (COMPAGNIE GENERALE D'OPTIQUE) (FR) 2005-04-14 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20110130482-A1 Process for preparing armatic thiophenyl ketones ACOT7, AGPAT2, COASY ALDH1A1 1816/4885MAPK1 3795/4885MAOA 1709/4885
US-20130225826-A1 Method for preparing substituted isoxazoline compounds and their precursors 4-chloro, 4-bromo- or 4-iodobenzaldehyde oximes CYP4X1, CYP4B1, AOX1 ALDH1A1 445/4885MAPK1 3734/4885MAOA 93/4885
US-20120059171-A1 Process for Preparing Substituted Isoxazoline Compounds and Their Precursors CYP4X1, CYP3A7, CYP1B1 ALDH1A1 202/4885MAPK1 1466/4885MAOA 281/4885

“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.