Benzene

Benzene

SCHEMBL186559

Clc1ccc(Cl)c(Cl)c1Cl.[Ru].[Ru].c1ccccc1

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.53
MAPK1 P28482 1/20 0.53
CYP2A6 P11509 4/20 0.46
CYP1A2 P05177 2/20 0.44
TSHR P16473 4/20 0.44
LMNA P02545 1/20 0.44
AHR P35869 4/20 0.43
TDP1 Q9NUW8 1/20 0.42
PNMT P11086 1/20 0.39
IDO1 P14902 1/20 0.35
TDO2 P48775 1/20 0.35
TP53 P04637 1/20 0.35
CYP1B1 Q16678 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35

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
SCHEMBL348089 0.88 CYP3A4 (0.62) CYP3A4MAPK1CYP2A6CYP1A2TSHR
SCHEMBL29368277 0.88 CYP3A4 (0.62) CYP3A4MAPK1CYP2A6CYP1A2TSHR
Hydrochloric Acid SCHEMBL27691381 0.84 CYP3A4 (0.59) CYP3A4MAPK1CYP2A6CYP1A2TSHR
Phosphine SCHEMBL28064314 0.84 CYP3A4 (0.59) CYP3A4MAPK1CYP2A6CYP1A2TSHR
SCHEMBL28338848 0.84 CYP3A4 (0.59) CYP3A4MAPK1CYP2A6CYP1A2TSHR
Methane SCHEMBL23466796 0.84 CYP3A4 (0.59) CYP3A4MAPK1CYP2A6CYP1A2TSHR
SCHEMBL27259983 0.84 CYP3A4 (0.59) CYP3A4MAPK1CYP2A6CYP1A2TSHR
Ammonia Solution, Strong SCHEMBL28194262 0.84 CYP3A4 (0.59) CYP3A4MAPK1CYP2A6CYP1A2TSHR
Fluoride SCHEMBL27699550 0.84 CYP3A4 (0.59) CYP3A4MAPK1CYP2A6CYP1A2TSHR
SCHEMBL10489573 0.81 TSHR (0.55) CYP3A4MAPK1CYP2A6CYP1A2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2868659-B1 Method for producing optically active naphthalene compound MITSUBISHI TANABE PHARMA CORP (JP) 2016-05-04 EP claimed
US-9181217-B2 Method for producing optically active naphthalene compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2015-11-10 US claimed
US-20150152082-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE NAPHTHALENE COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2015-06-04 US claimed
EP-2868659-A1 Method for producing optically active naphthalene compound Mitsubishi Tanabe Pharma Corporation (JP) 2015-05-06 EP claimed
EP-2749558-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE NAPHTHALENE COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2014-07-02 EP claimed
US-20130237708-A1 Optically Active Cyclic Alcohol Compound And Method For Preparing The Same MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-09-12 US claimed
EP-1944291-B1 Optically active cyclic alcohol compound and method for producing same MITSUBISHI TANABE PHARMA CORP (JP) 2012-06-13 EP claimed
US-20100152451-A1 OPTICALLY ACTIVE CYCLIC ALCOHOL COMPOUND AND METHOD FOR PREPARING THE SAME MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-06-17 US claimed
EP-1944291-A1 OPTICALLY ACTIVE CYCLIC ALCOHOL COMPOUND AND METHOD FOR PRODUCING SAME Mitsubishi Tanabe Pharma Corporation (JP) 2008-07-16 EP claimed
US-20230416173-A1 Distillation Process and Apparatus with Pressure Corrected Temperature Heat Source Control INEOS ACETYLS UK LIMITED (GB) 2023-12-28 US disclosed
US-20230415065-A1 Processes and Apparatuses for Distillation of an Acetic Acid and Propionic Acid-Containing Stream in an Acetic Acid Production Unit INEOS ACETYLS UK LIMITED (GB) 2023-12-28 US disclosed
US-20230338888-A1 Processes for Treating Off-Gas In An Acetic Acid Production Unit INEOS ACETYLS UK LIMITED (GB) 2023-10-26 US disclosed
US-20230150908-A1 Process for Producing Acetic Acid INEOS ACETYLS UK LIMITED (GB) 2023-05-18 US disclosed
US-20230052743-A1 Separation Process and Apparatus INEOS ACETYLS UK LIMITED (GB) 2023-02-16 US disclosed
EP-0768295-A1 PROCESS FOR PRODUCING ACETIC ACID DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1997-04-16 EP disclosed
EP-0752406-A1 Process for the production of acetic acid by carbonylation BP Chemicals Limited (GB) 1997-01-08 EP disclosed
EP-0749948-A1 Process for the carbonylation of alkyl alcohols and/or reactive derivatives thereof BP Chemicals Limited (GB) 1996-12-27 EP disclosed
EP-0728727-A1 Process for the carbonylation of an alcohol BP Chemicals Limited (GB) 1996-08-28 EP disclosed
EP-0728729-A1 Process for purifying a carboxylic acid BP Chemicals Limited (GB) 1996-08-28 EP disclosed
EP-0643034-A1 Process for the production of acetic acid BP Chemicals Limited (GB) 1995-03-15 EP 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 (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-20150152082-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE NAPHTHALENE COMPOUND HRH1, HRH4, RB1 CYP3A4 1794/4885MAPK1 416/4885CYP2A6 1879/4885
US-20100152451-A1 OPTICALLY ACTIVE CYCLIC ALCOHOL COMPOUND AND METHOD FOR PREPARING THE SAME ADH1C, ADH1A, ADH5 CYP3A4 277/4885MAPK1 732/4885CYP2A6 1251/4885
US-20130237708-A1 Optically Active Cyclic Alcohol Compound And Method For Preparing The Same ADH1C, ADH1A, ADH5 CYP3A4 277/4885MAPK1 732/4885CYP2A6 1251/4885

“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.