Benzene

Benzene

SCHEMBL3122858

CCc1ccccc1CC.c1ccccc1

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.56
GABRA1 P14867 4/20 0.55
GABRB2 P47870 4/20 0.55
MGLL Q99685 1/20 0.48
PSIP1 O75475 1/20 0.46
MAPT P10636 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CLCN2 P51788 1/20 0.42
AKR1B1 P15121 1/20 0.42
CYP2D6 P10635 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41

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
Benzene SCHEMBL11603070 1.00 TP53 (0.56) TP53GABRA1GABRB2MGLLPSIP1
Hydrogen Peroxide SCHEMBL10890655 0.97 GABRA1 (0.60) TP53GABRA1GABRB2MGLLPSIP1
Hydrogen Peroxide SCHEMBL11205186 0.97 GABRA1 (0.60) TP53GABRA1GABRB2MGLLPSIP1
Benzene SCHEMBL25402370 0.97 TP53 (0.53) TP53GABRA1GABRB2MGLLPSIP1
SCHEMBL36294 0.96 GABRA1 (0.58) TP53GABRA1GABRB2MGLLPSIP1
SCHEMBL25425763 0.96 GABRA1 (0.58) TP53GABRA1GABRB2MGLLPSIP1
SCHEMBL29390847 0.96 GABRA1 (0.58) TP53GABRA1GABRB2MGLLPSIP1
SCHEMBL25402639 0.93 GABRA1 (0.55) TP53GABRA1GABRB2MGLLPSIP1
Ammonia Solution, Strong SCHEMBL2638008 0.93 GABRA1 (0.55) TP53GABRA1GABRB2MGLLPSIP1
SCHEMBL14807864 0.93 GABRA1 (0.55) TP53GABRA1GABRB2MGLLPSIP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107790172-A Transalkylation catalyst and its production and use 中国石油化工股份有限公司 2018-03-13 CN disclosed
CN-107759433-A Paraxylene and ethylbenzene selective disproportionation method 中国石油化工股份有限公司 2018-03-06 CN disclosed
CN-107754848-A C8 aronmatic shape selective catalysis synthesizes p-methyl-ethylbenzene catalyst 中国石油化工股份有限公司 2018-03-06 CN disclosed
CN-102387861-B The catalyst useful to alkylating aromatic hydrocarbon LUMMUS TECHNOLOGY INC. (US) 2015-09-09 CN disclosed
CN-104276924-A Shape-selective disproportionation method of toluene and ethylbenzene CHINA PETROLEUM & CHEMICAL 2015-01-14 CN disclosed
US-20130230450-A1 Catalysts Useful for the Alkylation of Aromatic Hydrocarbons LUMMUS TECHNOLOGY INC. (US) 2013-09-05 US disclosed
US-8450232-B2 Catalysts useful for the alkylation of aromatic hydrocarbons LUMMUS TECHNOLOGY INC. (US) 2013-05-28 US disclosed
CN-102935379-A Preparation method of MCM-22 molecular sieve catalyst DALIAN CHEMICAL PHYSICS INST 2013-02-20 CN disclosed
CN-102387861-A Catalysts useful for the alkylation of aromatic hydrocarbons LUMMUS TECHNOLOGY INC 2012-03-21 CN disclosed
CN-101125863-B Preparation method for alendronic acid ZHEJIANG XINDONGGANG DRUG HOLDING CO LTD 2011-07-27 CN disclosed
US-7745674-B2 Alkylation slurry reactor CATALYTIC DISTILLATION TECHNOLOGIES (US) 2010-06-29 US disclosed
US-20100048966-A1 ALKYLATION SLURRY REACTOR CATALYTIC DISTILLATION TECHNOLOGIES (US) 2010-02-25 US disclosed
CN-101125863-A Preparation method for alendronic acid ZHEJIANG XINDONGGANG DRUG HOLD (CN) 2008-02-20 CN disclosed
WO-2007016504-A2 METHOD AND SYSTEM FOR EFFICIENTLY DISPOSING OF DEAD ANIMAL PARTS AND FOR CONVERTING ANIMAL PARTS AND BIOMASS TO FUELS GOKEL RECON, LLC. (US) 2007-02-08 WO disclosed
CN-1368897-A Novel design of reactive distillation technology TUNG ELIZABETH (CA) 2002-09-11 CN disclosed
CN-1019007-B MANUFACTURE OF ALKYLBENZENES LUMMUS CREST INC (US) 1992-11-11 CN disclosed
US-5003119-A Alkylation of benzene in the presence of a zeolite catalyst LUMMUS CREST, INC. (US) 1991-03-26 US disclosed
CN-1037699-A The manufacturing of alkylbenzene LUMMUS CREST INC (US) 1989-12-06 CN disclosed
US-4613717-A ALKYLATION, ZEOLITE CATALYST RESEARCH ASSOCIATION FOR UTILIZATION OF LIGHT OIL (JP) 1986-09-23 US disclosed
US-4236996-A STEAMED ZEOLITE CATALYST MOBIL OIL CORPORATION (US) 1980-12-02 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 (1 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-20100048966-A1 ALKYLATION SLURRY REACTOR CYP3A4, CYP2E1, ADH5 TP53 2238/4885GABRA1 585/4885GABRB2 407/4885

“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.