Tert-Butylbenzene

Tert-Butylbenzene

SCHEMBL4584847

CC(C)(C)c1ccccc1.N=C=O

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.42
MAPT P10636 2/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
TSHR P16473 1/20 0.40
CYP2C19 P33261 1/20 0.40
HIF1A Q16665 1/20 0.40
RARB P10826 1/20 0.39
RARG P13631 1/20 0.39
ALDH1A1 P00352 3/20 0.39
TAAR1 Q96RJ0 1/20 0.39
ALOX15 P16050 1/20 0.39
LMNA P02545 2/20 0.39
RAB9A P51151 2/20 0.39
HDAC4 P56524 2/20 0.39
HDAC2 Q92769 2/20 0.39
HDAC8 Q9BY41 2/20 0.39
SRD5A2 P31213 1/20 0.39
HDAC3 O15379 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
Tert-Butylbenzene SCHEMBL29171481 1.00 MAPK1 (0.42) MAPK1MAPTKMT2AL3MBTL1TDP1
Tert-Butylbenzene SCHEMBL27805700 0.90 MAPK1 (0.46) MAPK1MAPTKMT2AL3MBTL1TDP1
SCHEMBL6751140 0.85 ESR1 (0.54) MAPK1MAPTKMT2ATSHRCYP2C19
SCHEMBL28301318 0.85 ESR1 (0.54) MAPK1MAPTKMT2ATSHRCYP2C19
SCHEMBL27921692 0.85 ESR1 (0.54) MAPK1MAPTKMT2ATSHRCYP2C19
SCHEMBL658821 0.85 ESR1 (0.54) MAPK1MAPTKMT2ATSHRCYP2C19
SCHEMBL5694067 0.85 ESR1 (0.54) MAPK1MAPTKMT2ATSHRCYP2C19
SCHEMBL2517256 0.85 ESR1 (0.54) MAPK1MAPTKMT2ATSHRCYP2C19
Tert-Butylbenzene SCHEMBL2886541 0.85 MAPK1 (0.42) MAPK1MAPTKMT2AL3MBTL1TDP1
SCHEMBL1369038 0.85 ESR1 (0.54) MAPK1MAPTKMT2ATSHRCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106632940-A Polycarbodiimide compounds, preparation method thereof and liquid type hydrolysis-resistant agent composition 上海华峰新材料研发科技有限公司 2017-05-10 CN claimed
CN-117736163-A Phenylpiperazine derivative or pharmaceutical salt thereof, preparation method and application thereof in preparation of pain treatment drugs 郑州大学第一附属医院 2024-03-22 CN disclosed
CN-109526952-B Glycosylated pesticide nano microcapsule and preparation method thereof 山东农业大学 2021-12-17 CN disclosed
CN-106632940-A Polycarbodiimide compounds, preparation method thereof and liquid type hydrolysis-resistant agent composition 上海华峰新材料研发科技有限公司 2017-05-10 CN disclosed
US-20160068559-A1 Modulators of Histone Methyltransferase, and Methods of Use Thereof Epizyme, Inc. 2016-03-10 US disclosed
US-9029343-B2 Modulators of histone methyltransferase, and methods of use thereof Epizyme, Inc. (US) 2015-05-12 US disclosed
US-20130310333-A1 Modulators of Histone Methyltransferase, and Methods of Use Thereof Epizyme, Inc. (US) 2013-11-21 US disclosed
EP-2646455-A2 MODULATORS OF HISTONE METHYLTRANSFERASE, AND METHODS OF USE THEREOF Epizyme, Inc. (US) 2013-10-09 EP disclosed
WO-2012082436-A2 MODULATORS OF HISTONE METHYLTRANSFERASE, AND METHODS OF USE THEREOF Epizyme, Inc. (US) 2012-06-21 WO disclosed
US-20080206103-A1 Method For The Preparation Of Very Stable, Self-Assembled Monolayers On The Surface Of Gold Coated Microcantilevers For Application To Chemical Sensing UT-BATTELLE, LLC (US) 2008-08-28 US disclosed
EP-1794580-A2 SELF-ASSEMBLED MONOLAYERS ON THE SURFACE OF GOLD COATED MICROCANTILEVERS FOR APPLICATION TO CHEMICAL SENSING AND METHOD OF PREPARATION UT-Battelle, LLC (US) 2007-06-13 EP disclosed
WO-2006031846-A2 SELF-ASSEMBLED MONOLAYERS ON THE SURFACE OF GOLD COATED MICROCANTILEVERS FOR APPLICATION TO CHEMICAL SENSING AND METHOD OF OPERATION UT-BATTELLE, LLC (US) 2006-03-23 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 (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-20160068559-A1 Modulators of Histone Methyltransferase, and Methods of Use Thereof EHMT1, EHMT2, HNMT MAPK1 3455/4885MAPT 1361/4885KMT2A 23/4885
US-20130310333-A1 Modulators of Histone Methyltransferase, and Methods of Use Thereof EHMT1, EHMT2, HNMT MAPK1 3455/4885MAPT 1361/4885KMT2A 23/4885
US-20080206103-A1 Method For The Preparation Of Very Stable, Self-Assembled Monolayers On The Surface Of Gold Coated Microcantilevers For Application To Chemical Sensing CALU, CALR, CALD1 MAPK1 3392/4885MAPT 3957/4885KMT2A 2879/4885

“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.