Benzene

Benzene

SCHEMBL6712802

CC(C)(C)O.c1ccccc1

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
TSHR P16473 3/20 0.43
THRB P10828 1/20 0.36
TP53 P04637 1/20 0.33
HMGCR P04035 1/20 0.33
CHRM1 P11229 1/20 0.33
TBXA2R P21731 1/20 0.33
ADRA1A P35348 1/20 0.33
ALOX15 P16050 1/20 0.33
ESR1 P03372 2/20 0.32
ESR2 Q92731 2/20 0.32
CYP3A4 P08684 1/20 0.32
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
PKM P14618 1/20 0.31
MAPT P10636 1/20 0.30
MAPK1 P28482 1/20 0.30
CA2 P00918 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 SCHEMBL27738079 0.95 ALDH1A1 (0.40) ALDH1A1TSHRTHRBTP53HMGCR
Tert-Butanol SCHEMBL4348456 0.88
Benzene SCHEMBL27835884 0.84 THRB (0.43) ALDH1A1TSHRTHRBTP53HMGCR
Tert-Butanol SCHEMBL29262529 0.82
Tert-Butanol SCHEMBL3628777 0.82
Tert-Butanol SCHEMBL788666 0.82 ALDH1A1 (0.46) ALDH1A1TSHRTHRBHMGCRCHRM1
Tert-Butanol SCHEMBL20503401 0.82 ALDH1A1 (0.46) ALDH1A1TSHRTHRBHMGCRCHRM1
Tert-Butanol SCHEMBL282 0.82
Benzene SCHEMBL8005900 0.77 THRB (0.38) ALDH1A1TSHRTHRB
Tert-Butanol SCHEMBL25297067 0.76 ALDH1A1 (0.42) ALDH1A1TSHRTHRB

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
WO-2019078780-A1 A METHOD FOR SHIFTING AN AZEOTROPE CLARK ANDREAS (SE) 2019-04-25 WO claimed
CN-103159687-A Synthesis method of 2-aminopyrazinyl-5-formic acid KEJIE BIO SUZHOU PHARMACEUTICALS CO LTD 2013-06-19 CN claimed
CN-102266289-A cilnidipine liposome solid preparation 2011-12-07 CN claimed
WO-2019078780-A1 A METHOD FOR SHIFTING AN AZEOTROPE CLARK ANDREAS (SE) 2019-04-25 WO disclosed
CN-105130742-B Method for separating mixture of tert-butyl alcohol and benzene through pressure swing distillation 青岛科技大学 2017-02-15 CN disclosed
CN-105130742-A Method for separating mixture of tert-butyl alcohol and benzene through pressure swing distillation UNIV QINGDAO SCIENCE & TECHNOLOGY 2015-12-09 CN disclosed
CN-105016959-A Extractive rectification method for separating tert-butanol and benzene mixture UNIV QINGDAO SCIENCE & TECHNOLOGY 2015-11-04 CN disclosed
CN-104045625-A INDOLE AND INDAZOLE COMPOUNDS THAT ACTIVATE AMPK PFIZER 2014-09-17 CN disclosed
CN-103159687-A Synthesis method of 2-aminopyrazinyl-5-formic acid KEJIE BIO SUZHOU PHARMACEUTICALS CO LTD 2013-06-19 CN disclosed
CN-102266289-B Cilnidipine liposome solid preparation HAINAN MEILANSHIKE PHARMA CO 2012-09-26 CN disclosed
CN-102266289-A cilnidipine liposome solid preparation 2011-12-07 CN disclosed
US-20020128210-A1 Triterpenes having human antifungal and antiyeast activity REGENTS OF THE UNIVERSITY OF MINNESOTA 2002-09-12 US disclosed
US-20020119935-A1 Triterpenes having antibacterial activity REGENTS OF THE UNIVERSITY OF MINNESOTA 2002-08-29 US disclosed
US-6369101-B1 Therapeutic method to treat herpes virus infection REGENTS OF THE UNIVERSITY OF MINNESOTA 2002-04-09 US disclosed
EP-0794194-B1 A process for the preparation of 2'-deoxy-2'-halocoformycins or stereoisomers thereof ZAIDAN HOJIN BISEIBUTSU (JP) 2001-12-12 EP disclosed
US-5831072-A Process for the preparation of 2'-deoxy-2'-halocoformycins or steroisomers thereof ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) 1998-11-03 US disclosed
US-5716458-A CLEANING BY VAPORIZATION, CONDENSATION OF AN AZEOTROPIC LIQUID MIXTURE; HALOGEN-FREE NIKON CORPORATION (JP) 1998-02-10 US disclosed
EP-0794194-A1 A process for the preparation of 2'-deoxy-2'-halocoformycins or stereoisomers thereof ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) 1997-09-10 EP disclosed
US-4147777-A ANTIINFLAMMATORY AGENTS INVERNI DELLA BEFFA S.P.A. (IT) 1979-04-03 US disclosed
US-4103025-A ANTIINFLAMMATORY INVERNI DELLA BEFFA S.P.A. (IT) 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-20020128210-A1 Triterpenes having human antifungal and antiyeast activity ERG28, LSS, MANBA ALDH1A1 4716/4885TSHR 4070/4885THRB 2426/4885
US-20020119935-A1 Triterpenes having antibacterial activity BET1, PGGT1B, LSS ALDH1A1 3778/4885TSHR 3699/4885THRB 1081/4885

“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.