Tert-Butylbenzene

Tert-Butylbenzene

SCHEMBL2886541

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

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.42
TSHR P16473 3/20 0.40
ALDH1A1 P00352 3/20 0.39
TAAR1 Q96RJ0 1/20 0.39
ALOX15 P16050 1/20 0.39
LMNA P02545 1/20 0.39
TYR P14679 1/20 0.39
ESR1 P03372 2/20 0.38
ESR2 Q92731 2/20 0.38
CYP3A4 P08684 1/20 0.38
MAPT P10636 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
KCNN4 O15554 3/20 0.37
KMT2A Q03164 1/20 0.37
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
NPC1 O15118 1/20 0.36
KIF11 P52732 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
Tert-Butylbenzene SCHEMBL28557249 0.90 MAPK1 (0.46) MAPK1TSHRALDH1A1TAAR1ALOX15
Tert-Butylbenzene SCHEMBL27805700 0.90 MAPK1 (0.46) MAPK1TSHRALDH1A1TAAR1ALOX15
Tert-Butylbenzene SCHEMBL29171481 0.85 MAPK1 (0.42) MAPK1TSHRALDH1A1TAAR1ALOX15
Tert-Butylbenzene SCHEMBL4584847 0.85 MAPK1 (0.42) MAPK1TSHRALDH1A1TAAR1ALOX15
Tert-Butylbenzene SCHEMBL2568053 0.84 MAPK1 (0.55) MAPK1TSHRALDH1A1TAAR1ALOX15
Tert-Butylbenzene SCHEMBL22264599 0.84 MAPK1 (0.55) MAPK1TSHRALDH1A1TAAR1ALOX15
Tert-Butylbenzene SCHEMBL18889 0.84 MAPK1 (0.55) MAPK1TSHRALDH1A1TAAR1ALOX15
Tert-Butylbenzene SCHEMBL22264597 0.84 MAPK1 (0.55) MAPK1TSHRALDH1A1TAAR1ALOX15
Tert-Butylbenzene SCHEMBL337648 0.84 MAPK1 (0.55) MAPK1TSHRALDH1A1TAAR1ALOX15
Tert-Butylbenzene SCHEMBL28229732 0.81 MAPK1 (0.48) MAPK1TSHRALDH1A1TAAR1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116947780-A Preparation method of thiazolidine-4-thioketone derivative 华侨大学 2023-10-27 CN claimed
CN-110183556-A Double Central Composite catalyst of a kind of load-type vanadium, chromium and its preparation method and application 华南农业大学 2019-08-30 CN claimed
CN-113307780-A Preparation method of 2-amino-1, 3, 4-oxadiazole compound and compound prepared by same 重庆医科大学 2021-08-27 CN disclosed
CN-110183556-A Double Central Composite catalyst of a kind of load-type vanadium, chromium and its preparation method and application 华南农业大学 2019-08-30 CN disclosed
US-8614330-B2 Substituted benz-azoles and methods of their use as inhibitors of RAF kinase NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2013-12-24 US disclosed
US-20130224195-A1 SUBSTITUTED BENZAZOLES AND METHODS OF THEIR USE AS INHIBITORS OF RAF KINASE COSTALES ABRAN (US) 2013-08-29 US disclosed
US-8415382-B2 Substituted benzazoles and methods of their use as inhibitors of RAF Kinase NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2013-04-09 US disclosed
US-20120288501-A1 SUBSTITUTED BENZAZOLES AND METHODS OF THEIR USE AS INHIBITORS OF RAF KINASE NOVARTIS VACCINES AND DIAGNOSTICS, INC. FORMERLY KNOWN AS CHIRON CORPORATION (US) 2012-11-15 US disclosed
US-8299108-B2 for treatment of hematological/hormone-dependent cancer NOVARTIS AG (CH) 2012-10-30 US disclosed
US-8071650-B2 Vanilloid receptor modulators; analgesic, antiinflammatory and antiulcer effects; such as 1-(1H-indol-5-ylmethyl)-3-phenethylthiourea PACIFIC CORPORATION (KR) 2011-12-06 US disclosed
US-20100196368-A1 SUBSTITUTED BENZ-AZOLES AND METHODS OF THEIR USE AS INHIBITORS OF RAF KINASE NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2010-08-05 US disclosed
EP-1499311-A1 SUBSTITUTED BENZAZOLES AND USE THEREOF AS RAF KINASE INHIBITORS Chiron Corporation (US) 2005-01-26 EP disclosed
EP-1303483-A4 NOVEL THIOUREA DERIVATIVES AND THE PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME PACIFIC CORP (KR) 2004-11-03 EP disclosed
US-20040122237-A1 Substituted benzazoles and methods of their use as inhibitors of Raf kinase NOVARTIS AG (CH) 2004-06-24 US disclosed
US-20040087626-A1 Substituted benz-azoles and methods of their use as inhibitors of Raf kinase NOVARTIS AG (CH) 2004-05-06 US disclosed
WO-2003082272-A1 SUBSTITUTED BENZAZOLES AND USE THEREOF AS RAF KINASE INHIBITORS CHIRON CORPORATION (US) 2003-10-09 WO disclosed
US-20030153596-A1 Novel thiourea derivatives and the pharmaceutical compositions containing the same PACIFIC CORPORATION (KR) 2003-08-14 US disclosed
CN-1418191-A Novel thiourea derivatives and pharmaceutical compositions containing the same PACFIC CORP (KR) 2003-05-14 CN disclosed
EP-1303483-A1 NOVEL THIOUREA DERIVATIVES AND THE PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME PACIFIC CORPORATION (KR) 2003-04-23 EP disclosed
WO-2002016318-A1 NOVEL THIOUREA DERIVATIVES AND THE PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME PACIFIC CORPORATION (KR) 2002-02-28 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 (6 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-20040122237-A1 Substituted benzazoles and methods of their use as inhibitors of Raf kinase BRAF, RAF1, ARAF MAPK1 86/4885TSHR 3584/4885ALDH1A1 1216/4885
US-20040087626-A1 Substituted benz-azoles and methods of their use as inhibitors of Raf kinase BRAF, RAF1, ARAF MAPK1 92/4885TSHR 3487/4885ALDH1A1 1008/4885
US-20030153596-A1 Novel thiourea derivatives and the pharmaceutical compositions containing the same TAS2R40, TAS1R2, TAS2R45 MAPK1 4429/4885TSHR 74/4885ALDH1A1 2306/4885
US-20120288501-A1 SUBSTITUTED BENZAZOLES AND METHODS OF THEIR USE AS INHIBITORS OF RAF KINASE BRAF, RAF1, ARAF MAPK1 86/4885TSHR 3584/4885ALDH1A1 1216/4885
US-20100196368-A1 SUBSTITUTED BENZ-AZOLES AND METHODS OF THEIR USE AS INHIBITORS OF RAF KINASE BRAF, RAF1, ARAF MAPK1 92/4885TSHR 3487/4885ALDH1A1 1008/4885
US-20130224195-A1 SUBSTITUTED BENZAZOLES AND METHODS OF THEIR USE AS INHIBITORS OF RAF KINASE BRAF, RAF1, ARAF MAPK1 100/4885TSHR 2855/4885ALDH1A1 1397/4885

“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.