Tert-Butylbenzene

Tert-Butylbenzene

SCHEMBL2568053

CC(C)(C)c1ccccc1

nearest known ligand 0.55

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.55
TSHR P16473 3/20 0.53
ALDH1A1 P00352 3/20 0.50
TAAR1 Q96RJ0 1/20 0.50
LMNA P02545 1/20 0.50
TYR P14679 1/20 0.50
ALOX15 P16050 1/20 0.50
ESR1 P03372 2/20 0.48
ESR2 Q92731 2/20 0.48
CYP3A4 P08684 1/20 0.48
KCNN4 O15554 3/20 0.48
MAPT P10636 2/20 0.46
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
BCHE P06276 1/20 0.44
ACHE P22303 1/20 0.44
CYP2C19 P33261 1/20 0.44
HIF1A Q16665 1/20 0.44

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 SCHEMBL22264597 1.00 MAPK1 (0.55) MAPK1TSHRALDH1A1TAAR1LMNA
Tert-Butylbenzene SCHEMBL18889 1.00 MAPK1 (0.55) MAPK1TSHRALDH1A1TAAR1LMNA
Tert-Butylbenzene SCHEMBL337648 1.00 MAPK1 (0.55) MAPK1TSHRALDH1A1TAAR1LMNA
Tert-Butylbenzene SCHEMBL22264599 1.00 MAPK1 (0.55) MAPK1TSHRALDH1A1TAAR1LMNA
Tert-Butylbenzene SCHEMBL16583175 0.97 MAPK1 (0.52) MAPK1TSHRALDH1A1TAAR1LMNA
Tert-Butylbenzene SCHEMBL309340 0.97 LMNA (0.55) MAPK1TSHRALDH1A1TAAR1LMNA
Tert-Butylbenzene SCHEMBL11852689 0.97 MAPK1 (0.52) MAPK1TSHRALDH1A1TAAR1LMNA
Tert-Butylbenzene SCHEMBL975494 0.97 MAPK1 (0.52) MAPK1TSHRALDH1A1TAAR1LMNA
Tert-Butylbenzene SCHEMBL6537004 0.97 MAPK1 (0.52) MAPK1TSHRALDH1A1TAAR1LMNA
Tert-Butylbenzene SCHEMBL5921915 0.97 MAPK1 (0.52) MAPK1TSHRALDH1A1TAAR1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2511267-A1 3-((N-ACYLATED AMINOACYL)AMINO)PYRAZOLES AS INHIBITORS OF BETA-AMYLOID PEPTIDE PRODUCTION USEFUL FOR THE TREATMENT OF ALZHEIMER'S DISEASE Elan Pharmaceuticals Inc. (US) 2012-10-17 EP disclosed
EP-1994019-B1 NOVEL PIPERIDIN - SUBSTITUTED INDOLES AND THEIR USE AS CCR-3 MODULATORS BOEHRINGER INGELHEIM INT (DE) 2011-11-02 EP disclosed
US-20100280066-A1 ACYLATED AMINO ACID AMIDYL PYRAZOLES AND RELATED COMPOUNDS TUNG JAY S 2010-11-04 US disclosed
US-7759365-B2 Piperidine-substituted indoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-07-20 US disclosed
US-7759382-B2 such as N-{5-[1-(4-chloro-phenyl)-1-methyl-ethyl]-2H-pyrazol-3-yl}-2-[2-(3,5-difluoro-phenyl)-2-hydroxy-acetylamino]-propionamide, used for inhibiting beta-amyloid peptide release and/or biosynthesis, inhibiting gamma-secretase activity, prevention and treatment of Alzheimer's disease ELAN PHARMACEUTICALS, INC. (US) 2010-07-20 US disclosed
EP-1633350-A4 ACYLATED AMINO ACID AMIDYL PYRAZOLES AND RELATED COMPOUNDS ELAN PHARM INC (US) 2008-11-26 EP disclosed
EP-1994019-A2 NOVEL PIPERIDIN - SUBSTITUTED INDOLES AND THEIR USE AS CCR-3 MODULATORS Boehringer Ingelheim International GmbH (DE) 2008-11-26 EP disclosed
US-7358396-B2 Preparation of optically active amines BASF AKTIENGESELLSCHAFT (DE) 2008-04-15 US disclosed
US-20070197624-A1 Acylated amino acid amidyl pyrazoles and related compounds ELAN PHARMACEUTICALS, INC. (US) 2007-08-23 US disclosed
US-20070155971-A1 Chiral diphosphorus compounds and their transition metal complexes Source Global, PBC 2007-07-05 US disclosed
US-20040127430-A1 Chiral monophosphorus compounds and their transition metal complexes LANXESS DEUTSCHLAND GMBH (DE) 2004-07-01 US disclosed
EP-1400527-A1 Chiral diphosphorus compounds and transition metal complexes thereof Bayer Chemicals AG (DE) 2004-03-24 EP disclosed
EP-1398319-A1 Chiral monophosphorus compounds and transition metal complexes thereof Bayer Chemicals AG (DE) 2004-03-17 EP disclosed
EP-1232279-A2 METHOD FOR PRODUCING OPTICALLY ACTIVE AMINES BASF AKTIENGESELLSCHAFT (DE) 2002-08-21 EP disclosed
EP-0906324-B1 CARBOHYDRATE DERIVATIVES AND THEIR SOLID-PHASE SYNTHESIS BASF AG (DE) 2001-08-01 EP disclosed
US-6242583-B1 COUPLING CARBOHYDRATE COMPOUNDS IN PRESENCE OF PROMOTER TO A FUNCTIONALIZED SOLID SUPPORT BASF AKTIENGESELLSCHAFT (DE) 2001-06-05 US disclosed
WO-2001038292-A2 METHOD FOR PRODUCING OPTICALLY ACTIVE AMINES BASF AKTIENGESELLSCHAFT (DE) 2001-05-31 WO disclosed
US-5990320-A Optically active diphosphine ligands BASF AKTIENGESELLSCHAFT (DE) 1999-11-23 US disclosed
EP-0906324-A1 CARBOHYDRATE DERIVATIVES AND THEIR SOLID-PHASE SYNTHESIS BASF AKTIENGESELLSCHAFT (DE) 1999-04-07 EP disclosed
WO-1997045436-A1 CARBOHYDRATE DERIVATIVES AND THEIR SOLID-PHASE SYNTHESIS BASF AKTIENGESELLSCHAFT (DE) 1997-12-04 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 (4 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-20100280066-A1 ACYLATED AMINO ACID AMIDYL PYRAZOLES AND RELATED COMPOUNDS APP, BACE1, APH1A MAPK1 1262/4885TSHR 4201/4885ALDH1A1 2920/4885
US-20040127430-A1 Chiral monophosphorus compounds and their transition metal complexes MDM4, MPHOSPH6, AP3M1 MAPK1 3512/4885TSHR 4810/4885ALDH1A1 4060/4885
US-20070197624-A1 Acylated amino acid amidyl pyrazoles and related compounds APP, BACE1, APH1A MAPK1 1262/4885TSHR 4201/4885ALDH1A1 2920/4885
US-20070155971-A1 Chiral diphosphorus compounds and their transition metal complexes CDIPT, DCPS, PIN1 MAPK1 3145/4885TSHR 4720/4885ALDH1A1 3235/4885

“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.