Benzene

Benzene

SCHEMBL252016

CC(Cl)Cl.c1ccccc1

nearest known ligand 0.67

Full drug profile on Sugi Atlas →

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.67
ALDH1A1 P00352 1/20 0.67
TP53 P04637 1/20 0.33
LMNA P02545 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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 SCHEMBL9453755 0.94 TSHR (0.56) TSHRALDH1A1TP53LMNATDP1
SCHEMBL126 0.82
SCHEMBL11523834 0.82
SCHEMBL5728116 0.82
SCHEMBL5438089 0.82
Benzene SCHEMBL8111616 0.76 TSHR (0.43) TSHRALDH1A1TP53LMNATDP1
SCHEMBL8462179 0.76
Hydrochloric Acid SCHEMBL4728720 0.76
Chloromethane SCHEMBL5050446 0.76
SCHEMBL22394670 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-55108828-A None JP disclosed
CN-111100250-B Aqueous acrylate resin, preparation method thereof and one-component rapid film-forming adhesive composition containing same 万华化学集团股份有限公司 2022-08-02 CN disclosed
CN-111100250-A Aqueous acrylate resin, preparation method thereof and one-component rapid film-forming adhesive composition containing same 万华化学集团股份有限公司 2020-05-05 CN disclosed
CN-108997127-A A kind of production technology synthesizing 1,3- bis--(2- chloro-trifluoromethyl phenoxy) -4- nitrobenzene 浙江禾本科技有限公司 2018-12-14 CN disclosed
CN-108383730-A 3, the 5- novel nitrated techniques of dinitro -4- chlorobenzotrifluorides 江苏大华化学工业有限公司 2018-08-10 CN disclosed
EP-2588455-B1 2-QUINOLINYL-ACETIC ACID DERIVATIVES AS HIV ANTIVIRAL COMPOUNDS GILEAD SCIENCES INC (US) 2018-04-04 EP disclosed
CN-104837337-B Extruded self-clumping animal litter and method of making extruded self-clumping animal litter 先锋宠物用品有限责任公司 2017-04-12 CN disclosed
US-9296758-B2 2-quinolinyl-acetic acid derivatives as HIV antiviral compounds GILEAD SCIENCES, INC. (US) 2016-03-29 US disclosed
US-20130210801-A1 2-QUINOLINYL-ACETIC ACID DERIVATIVES AS HIV ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-08-15 US disclosed
EP-2588455-A1 2 -QUINOLINYL- ACETIC ACID DERIVATIVES AS HIV ANTIVIRAL COMPOUNDS Gilead Sciences, Inc. (US) 2013-05-08 EP disclosed
US-8236954-B2 Processes for preparing benzimidazole thiophenes GLAXOSMITHKLINE LLC (US) 2012-08-07 US disclosed
WO-2012003498-A1 2 -QUINOLINYL- ACETIC ACID DERIVATIVES AS HIV ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-01-05 WO disclosed
US-20100256376-A1 Processes For Preparing Benzimidazole Thiophenes GLAXOSMITHKLINE LLC 2010-10-07 US disclosed
EP-2170871-A2 PROCESSES FOR PREPARING BENZIMIDAZOLE THIOPHENES GlaxoSmithKline LLC (US) 2010-04-07 EP disclosed
WO-2009002916-A2 PROCESSES FOR PREPARING BENZIMIDAZOLE THIOPHENES SMITHKLINE BEECHAM CORPORATION (US) 2008-12-31 WO disclosed
US-4992151-A Method for the selective alpha halogenation of alkylaromatic compounds THE DOW CHEMICAL COMPANY (US) 1991-02-12 US disclosed
US-4831194-A Process for the preparation of nitrodiaryl sulfoxides RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 1989-05-16 US disclosed
US-4710323-A Nitrodiaryl sulfoxide derivatives, process for their preparation and pharmaceutical and pesticidal compositions containing them as active ingredient RICHTER GEDEON VEGYESZETI GYAR RT (HU) 1987-12-01 US disclosed
JP-S55108828-A PREPARATION OF CHLORINATION PRODUCT AND ETHYL BENZENE SANYO CHEM IND LTD 1980-08-21 JP disclosed
US-4103012-A CARDIOVASCULAR DISORDERS LABAZ (FR) 1978-07-25 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-20100256376-A1 Processes For Preparing Benzimidazole Thiophenes TPMT, TBKBP1, TYMP TSHR 595/4885ALDH1A1 902/4885TP53 3000/4885
US-20130210801-A1 2-QUINOLINYL-ACETIC ACID DERIVATIVES AS HIV ANTIVIRAL COMPOUNDS NFATC1, ACIN1, ARF1 TSHR 4474/4885ALDH1A1 252/4885TP53 3536/4885

“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.