Ethylbenzene

Ethylbenzene

SCHEMBL14965882

CCc1ccccc1.CN(C)C=O

nearest known ligand 0.64

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.64
TSHR P16473 2/20 0.44
ALDH1A1 P00352 2/20 0.44
AOC3 Q16853 2/20 0.41
TAAR1 Q96RJ0 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ADH1B P00325 1/20 0.40
ADH1C P00326 1/20 0.40
ADH1A P07327 1/20 0.40
ADH7 P40394 1/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CA12 O43570 1/20 0.39
CA9 Q16790 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39

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
Dimethylformamide SCHEMBL8332170 0.84 TAAR1 (0.54) TSHRALDH1A1AOC3TAAR1KMT2A
Ethylbenzene SCHEMBL27308197 0.83 TP53 (0.82) TP53TSHRALDH1A1AOC3TAAR1
Ethylbenzene SCHEMBL27491778 0.81 TP53 (0.70) TP53TSHRALDH1A1TAAR1MEN1
Ethylbenzene SCHEMBL27348345 0.81 TP53 (0.70) TP53ALDH1A1TAAR1MEN1KMT2A
Ethylbenzene SCHEMBL28002777 0.81 TP53 (0.70) TP53ALDH1A1TAAR1MEN1KMT2A
Ethylbenzene SCHEMBL27816632 0.80 TP53 (0.78) TP53TSHRALDH1A1AOC3TAAR1
(Chloromethyl)Benzene SCHEMBL11863187 0.80 ALDH1A1 (0.43) TP53TSHRALDH1A1AOC3TAAR1
Benzyl Bromide SCHEMBL1833786 0.80 ALDH1A1 (0.61) TP53TSHRALDH1A1AOC3TAAR1
Ethylbenzene SCHEMBL11223212 0.80 TP53 (1.00) TP53TSHRALDH1A1TAAR1RAB9A
Ethylbenzene SCHEMBL3987542 0.80 TP53 (1.00) TP53TSHRALDH1A1TAAR1RAB9A

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
US-9409899-B2 Process for preparing benzisothiazol-3-yl-piperazin-1-yl-methyl-cyclo hexylmethanisoindol-1,3-dione and its intermediates CADILA HEALTHCARE LIMITED (IN) 2016-08-09 US claimed
US-20140378682-A1 PROCESSES AND INTERMEDIATES FOR PREPARING RIVAROXABAN CADILA HEALTHCARE LIMITED (IN) 2014-12-25 US claimed
WO-2014178068-A2 AN IMPROVED PROCESS FOR PREPARATION OF N-[1-(1-NAPHTHYL)ETHYL] -3- [3-(TRIFLUOROMETHYL)PHENYL]PROPAN-1-AMINE AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF CADILA HEALTHCARE LIMITED (IN) 2014-11-06 WO claimed
US-20140179713-A1 POLYMORPHIC FORM OF 5-(4-[4-(5-CYANO-1H-INDOL-3-YL) BUTYL] PIPERAZIN-1-YL) BENZOFURAN-2-CARBOXAMIDE AND PROCESS FOR PREPARING THEREOF CADILA HEALTHCARE LIMITED (IN) 2014-06-26 US claimed
WO-2014072998-A1 AN IMPROVED PROCESS FOR PREPARATION OF AGOMELATINE CADILA HEALTHCARE LIMITED (IN) 2014-05-15 WO claimed
WO-2014064715-A2 AMORPHOUS FORM OF VILAZODONE HYDROCHLORIDE AND PROCESS FOR PREPARING THEREOF CADILA HEALTHCARE LIMITED (IN) 2014-05-01 WO claimed
WO-2013175499-A2 POLYMORPHIC FORM OF 5-(4-[4-(5-CYANO-1H-INDOL-3- YL)BUTYL]PIPERAZIN-1-YL) BENZOFURAN-2-CARBOXAMIDE CADILA HEALTHCARE LIMITED (IN) 2013-11-28 WO claimed
WO-2013121440-A1 PROCESS FOR PREPARING BENZISOTHIAZOL-3-YL-PEPERAZIN-L-YL-METHYL-CYCLO HEXYL-METHANISOINDOL-1,3-DIONE AND ITS INTERMEDIATES CADILA HEALTHCARE LIMITED (IN) 2013-08-22 WO claimed
WO-2013098833-A2 PROCESSES AND INTERMEDIATES FOR PREPARING RIVAROXABAN CADILA HEALTHCARE LIMITED (IN) 2013-07-04 WO claimed
WO-2013072935-A2 PROCESS FOR THE PREPARATION OF SILODOSIN CADILA HEALTHCARE LIMITED (IN) 2013-05-23 WO claimed
CN-103852983-B Positively chargeable monolayer electrophotographic photosensitive member and image forming apparatus 京瓷办公信息系统株式会社 2017-04-12 CN disclosed
CN-105980331-A Dielectric material and electrostatic chucking device 住友大阪水泥股份有限公司 2016-09-28 CN disclosed
CN-102762519-B Sintered body and manufacture method thereof 住友大阪水泥股份有限公司 2016-08-24 CN disclosed
US-9409899-B2 Process for preparing benzisothiazol-3-yl-piperazin-1-yl-methyl-cyclo hexylmethanisoindol-1,3-dione and its intermediates CADILA HEALTHCARE LIMITED (IN) 2016-08-09 US disclosed
US-20140378682-A1 PROCESSES AND INTERMEDIATES FOR PREPARING RIVAROXABAN CADILA HEALTHCARE LIMITED (IN) 2014-12-25 US disclosed
WO-2014064715-A2 AMORPHOUS FORM OF VILAZODONE HYDROCHLORIDE AND PROCESS FOR PREPARING THEREOF CADILA HEALTHCARE LIMITED (IN) 2014-05-01 WO disclosed
WO-2013175499-A2 POLYMORPHIC FORM OF 5-(4-[4-(5-CYANO-1H-INDOL-3- YL)BUTYL]PIPERAZIN-1-YL) BENZOFURAN-2-CARBOXAMIDE CADILA HEALTHCARE LIMITED (IN) 2013-11-28 WO disclosed
WO-2013121440-A1 PROCESS FOR PREPARING BENZISOTHIAZOL-3-YL-PEPERAZIN-L-YL-METHYL-CYCLO HEXYL-METHANISOINDOL-1,3-DIONE AND ITS INTERMEDIATES CADILA HEALTHCARE LIMITED (IN) 2013-08-22 WO disclosed
WO-2013098833-A2 PROCESSES AND INTERMEDIATES FOR PREPARING RIVAROXABAN CADILA HEALTHCARE LIMITED (IN) 2013-07-04 WO disclosed
WO-2013072935-A2 PROCESS FOR THE PREPARATION OF SILODOSIN CADILA HEALTHCARE LIMITED (IN) 2013-05-23 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-20140179713-A1 POLYMORPHIC FORM OF 5-(4-[4-(5-CYANO-1H-INDOL-3-YL) BUTYL] PIPERAZIN-1-YL) BENZOFURAN-2-CARBOXAMIDE AND PROCESS FOR PREPARING THEREOF CYP3A5, HTR3C, HTR5A TP53 2078/4885TSHR 2126/4885ALDH1A1 480/4885
US-20140378682-A1 PROCESSES AND INTERMEDIATES FOR PREPARING RIVAROXABAN VKORC1, VKORC1L1, F2 TP53 1264/4885TSHR 2974/4885ALDH1A1 1489/4885

“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.