Tert-Butanol

Tert-Butanol

SCHEMBL2516745

CC(C)(C)O.CCCCO

nearest known ligand 0.73

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.73
SMN1; SMN2 Q16637 1/20 0.59
TSHR P16473 4/20 0.56
LMNA P02545 3/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
HSD17B10 Q99714 1/20 0.56
THRB P10828 2/20 0.35
DNM1 Q05193 4/20 0.35
HTT P42858 1/20 0.35
MAPT P10636 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-Butanol SCHEMBL20985481 0.97 ALDH1A1 (0.69) ALDH1A1SMN1; SMN2TSHRLMNAMEN1
Tert-Butanol SCHEMBL5623893 0.97 ALDH1A1 (0.69) ALDH1A1SMN1; SMN2TSHRLMNAMEN1
1-Pentanol SCHEMBL2001508 0.90 SMN1; SMN2 (0.75) ALDH1A1SMN1; SMN2TSHRLMNAMEN1
1-Hexanol SCHEMBL10954739 0.88 LMNA (0.77) ALDH1A1SMN1; SMN2TSHRLMNAMEN1
Amylene Hydrate SCHEMBL7787345 0.88 ALDH1A1 (0.65) ALDH1A1SMN1; SMN2TSHRLMNAMEN1
Octanol SCHEMBL28470883 0.88 LMNA (0.77) ALDH1A1SMN1; SMN2TSHRLMNAMEN1
Butyl Alcohol SCHEMBL9725477 0.86 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2TSHRLMNAMEN1
Butyl Alcohol SCHEMBL532 0.86
Butyl Alcohol SCHEMBL30877879 0.86
Butyl Alcohol SCHEMBL29688432 0.86

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101891179-A Preparation method of lithium iron phosphate material, lithium ion battery and positive plate thereof WANXING PHOTOELECTRON DONGGUAN CO LTD 2010-11-24 CN claimed
WO-2010095024-A2 AN IMPROVED PROCESS FOR THE PREPARATION OF CELECOXIB AUROBINDO PHARMA LIMITED (IN) 2010-08-26 WO claimed
CN-1233689-C Double metal complex catalyst and its prepn LIMING CHEMICAL INST (CN) 2005-12-28 CN claimed
CN-1486788-A Double metal complex catalyst and its prepn 黎明化工研究院 2004-04-07 CN claimed
CN-113387954-B Preparation method of adefovir intermediate 上海特化医药科技有限公司 2024-03-19 CN disclosed
EP-4253366-A2 METHODS AND INTERMEDIATES FOR PREPARING A THERAPEUTIC COMPOUND USEFUL IN THE TREATMENT OF RETROVIRIDAE VIRAL INFECTION Gilead Sciences, Inc. (US) 2023-10-04 EP disclosed
CN-111057052-B Method for preparing minodronic acid intermediate 2- (imidazo [1, 2-alpha ] pyridine-3-yl) acetate compound 复旦大学 2023-08-22 CN disclosed
EP-3752496-B1 METHODS AND INTERMEDIATES FOR PREPARING A THERAPEUTIC COMPOUND USEFUL IN THE TREATMENT OF RETROVIRIDAE VIRAL INFECTION GILEAD SCIENCES INC (US) 2023-07-05 EP disclosed
CN-115557533-A Recycling method of arsenic sulfide slag 林西金易来砷业有限公司 2023-01-03 CN disclosed
CN-111057052-A Method for preparing minodronic acid intermediate 2- (imidazo [1,2- α ] pyridine-3-yl) acetic ester compound 复旦大学 2020-04-24 CN disclosed
CN-106265500-B Solution containing miboplatin, application of solution, miboplatin freeze-dried powder injection, preparation method and application 袁利佳 2020-01-31 CN disclosed
CN-106117083-A Method for producing 2-cyanoethyl-5-norbornene-2-aldehyde in a microstructured reactor 南京工业大学 2016-11-16 CN disclosed
US-20060014798-A1 Process for the preparation of sulphinyl derivatives by oxidation of the corresponding sulfides CHEMI SPA (IT) 2006-01-19 US disclosed
CN-1233689-C Double metal complex catalyst and its prepn LIMING CHEMICAL INST (CN) 2005-12-28 CN disclosed
CN-1486788-A Double metal complex catalyst and its prepn 黎明化工研究院 2004-04-07 CN disclosed
CN-1486788-A Double metal complex catalyst and its prepn 黎明化工研究院 2004-04-07 CN disclosed
US-6593364-B2 Oxireno-, azetidino-, and methano- picene derivatives MEIJI SEIKA KAISHA, LTD. (JP) 2003-07-15 US disclosed
US-20020016481-A1 Triterpene derivatives and remedies for liver diseases SASAKI KAZUE (JP) 2002-02-07 US disclosed
EP-1087005-A1 Fluorescent diketopyrrolopyrroles Ciba SC Holding AG (CH) 2001-03-28 EP disclosed
US-4145420-A ANTIALLERGENS, ANTIINFLAMMATORY AGENTS E. R. SQUIBB & SONS, INC. (US) 1979-03-20 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-20020016481-A1 Triterpene derivatives and remedies for liver diseases NR1H3, NR1H2, OXER1 ALDH1A1 803/4885SMN1; SMN2 4624/4885TSHR 940/4885
US-20060014798-A1 Process for the preparation of sulphinyl derivatives by oxidation of the corresponding sulfides SQOR, STS, SI ALDH1A1 1094/4885SMN1; SMN2 2795/4885TSHR 1178/4885

“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.