Ethylbenzene

Ethylbenzene

SCHEMBL3255269

C1CCOC1.CCc1ccccc1

nearest known ligand 0.64

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.64
RAB9A P51151 2/20 0.42
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
FKBP1A P62942 2/20 0.41
POLB P06746 2/20 0.40
SIGMAR1 Q99720 1/20 0.40
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
LMNA P02545 1/20 0.37
ALDH1A1 P00352 2/20 0.36
ATM Q13315 1/20 0.36
CALM1 P0DP23 1/20 0.36
KDM1A O60341 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
Ethylbenzene SCHEMBL2121105 0.90 TP53 (0.52) TP53SIGMAR1MEN1KMT2AALDH1A1
Ethylbenzene SCHEMBL10489218 0.88 TP53 (0.74) TP53RAB9AKDM4ENPC1POLB
Tetrahydrofuran SCHEMBL28900801 0.88 TP53 (0.48) TP53RAB9AKDM4ENPC1
Ethylbenzene SCHEMBL11783786 0.86 TP53 (0.47) TP53RAB9AKDM4ENPC1FKBP1A
Ethylbenzene SCHEMBL11052893 0.83 TP53 (0.82) TP53RAB9AKDM4ENPC1POLB
Ethylbenzene SCHEMBL7902673 0.83 TP53 (0.82) TP53RAB9AKDM4ENPC1POLB
Ethylbenzene SCHEMBL28826931 0.83 TP53 (0.82) TP53RAB9AKDM4ENPC1POLB
Ethylbenzene SCHEMBL27294466 0.83
Tetrahydrofuran SCHEMBL8893050 0.81 SIGMAR1 (0.52) NPC1FKBP1APOLBSIGMAR1LMNA
Ethylbenzene SCHEMBL11223212 0.80 TP53 (1.00) TP53RAB9AKDM4EPOLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106938981-A A kind of preparation method of NVP intermediate sphaerocrystal 浙江华海药业股份有限公司 2017-07-11 CN claimed
EP-0870777-B1 Initiator system and process for the anionic (co)polymerisation of (meth)acrylic, vinylaromatic and/or dienic monomers ATOFINA (FR) 2003-09-24 EP claimed
EP-0870775-B1 Initiator system comprising a silyl initiator for the anionic (co)polymerisation of (meth)acrylic monomers and process using it ATOFINA (FR) 2002-12-11 EP claimed
US-20010018397-A1 Comprising reaction product of a cyclic siloxane and an organometallic compound such as sec-butyllithium; for making polymethyl methacrylate with high content of isotactic triads ELF ATOCHEM S.A. (FR) 2001-08-30 US claimed
US-20010003726-A1 INITIATION SYSTEM COMPRISING AN AMINO ALCOHOLATE LIGAND FOR ANIONIC COPOLYMERIZATION OF (METH)ACRYLIC MONOMERS AND PROCESS USING SAME ELF ATOCHEM S.A. (FR) 2001-06-14 US claimed
US-10374175-B2 Platinum complex compound and organic electroluminescence device using the same UDC IRELAND LIMITED (IE) 2019-08-06 US disclosed
CN-106938981-A A kind of preparation method of NVP intermediate sphaerocrystal 浙江华海药业股份有限公司 2017-07-11 CN disclosed
CN-103974929-B The manufacture method of the halogen acid salt of haloalkylamine 住友化学株式会社 2016-08-24 CN disclosed
US-20160099426-A1 Platinum Complex Compound And Organic Electroluminescence Device Using The Same UDC Ireland (IE) 2016-04-07 US disclosed
EP-2070936-B1 Platinum complex compound and organic electroluminescence device using the same FUJIFILM CORP (JP) 2010-05-26 EP disclosed
EP-2070936-A1 Platinum complex compound and organic electroluminescence device using the same Fujifilm Corporation (JP) 2009-06-17 EP disclosed
EP-1323711-B1 NOVEL PHENYLALANINE DERIVATIVES AJINOMOTO KK (JP) 2006-11-15 EP disclosed
EP-1323711-A1 NOVEL PHENYLALANINE DERIVATIVES Ajinomoto Co., Inc. (JP) 2003-07-02 EP disclosed
US-6489262-B2 COMPRISING REACTION PRODUCT OF A CYCLIC SILOXANE AND AN ORGANOMETALLIC COMPOUND SUCH AS SEC-BUTYLLITHIUM; FOR MAKING POLYMETHYL METHACRYLATE WITH HIGH CONTENT OF ISOTACTIC TRIADS ATOFINA (FR) 2002-12-03 US disclosed
US-6337297-B1 CHROMIUM CATALYST FOR TRIMERIZATION OF ETHYLENE WITH MULTIDENTATE LIGAND OR HALOGEN, CARBOXY GROUP TOSOH CORPORATION (JP) 2002-01-08 US disclosed
US-6319875-B1 AS ACTIVATOR TO PRODUCE SYNDIOTACTIC ACRYLIC POLYMER ELF ATOCHEM S.A. (FR) 2001-11-20 US disclosed
US-20010018397-A1 Comprising reaction product of a cyclic siloxane and an organometallic compound such as sec-butyllithium; for making polymethyl methacrylate with high content of isotactic triads ELF ATOCHEM S.A. (FR) 2001-08-30 US disclosed
US-6262204-B1 AS POLYMERIZATION INITIATOR FOR POLYMERIZATION OF (METH)ACRYLIC MONOMERS AND OPTIONALLY ETHYLENICALLY UNSATURATED MONOMERS ATOFINA (FR) 2001-07-17 US disclosed
US-20010003726-A1 INITIATION SYSTEM COMPRISING AN AMINO ALCOHOLATE LIGAND FOR ANIONIC COPOLYMERIZATION OF (METH)ACRYLIC MONOMERS AND PROCESS USING SAME ELF ATOCHEM S.A. (FR) 2001-06-14 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 (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-20160099426-A1 Platinum Complex Compound And Organic Electroluminescence Device Using The Same PARP1, OXA1L, H1-2 TP53 1404/4885RAB9A 2474/4885KDM4E 3402/4885
US-10374175-B2 Platinum complex compound and organic electroluminescence device using the same PARP1, OXA1L, H1-2 TP53 1404/4885RAB9A 2474/4885KDM4E 3402/4885

“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.