Isobutanol

Isobutanol

SCHEMBL1128320

CC(C)CO.CCCCO

nearest known ligand 0.69

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.69
TSHR P16473 6/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
LMNA P02545 5/20 0.53
HSD17B10 Q99714 1/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
TDP1 Q9NUW8 1/20 0.37
CYP2D6 P10635 2/20 0.34
SPHK1 Q9NYA1 1/20 0.34
GMNN O75496 1/20 0.34
POLB P06746 1/20 0.34
THPO P40225 1/20 0.34
MTOR P42345 1/20 0.34
BLM P54132 1/20 0.34
KDM4E B2RXH2 1/20 0.34
TP53 P04637 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPT P10636 1/20 0.34

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
Isobutanol SCHEMBL4228213 0.94 ALDH1A1 (0.61) ALDH1A1TSHRSMN1; SMN2LMNAHSD17B10
Isobutanol SCHEMBL27200593 0.92 ALDH1A1 (0.58) ALDH1A1TSHRSMN1; SMN2LMNAHSD17B10
1-Pentanol SCHEMBL2917883 0.91 SMN1; SMN2 (0.71) ALDH1A1TSHRSMN1; SMN2LMNAHSD17B10
Isobutanol SCHEMBL7219927 0.89 ALDH1A1 (0.55) ALDH1A1TSHRSMN1; SMN2LMNAHSD17B10
1-Hexanol SCHEMBL8415693 0.88 LMNA (0.72) ALDH1A1TSHRSMN1; SMN2LMNAHSD17B10
Octanol SCHEMBL18986690 0.88 LMNA (0.72) ALDH1A1TSHRSMN1; SMN2LMNAHSD17B10
Isobutanol SCHEMBL27741853 0.87 ALDH1A1 (0.52) ALDH1A1TSHRSMN1; SMN2LMNAHSD17B10
Butyl Alcohol SCHEMBL28777079 0.87
Hexane SCHEMBL4203459 0.87 TSHR (0.64) ALDH1A1TSHRSMN1; SMN2LMNAHSD17B10
Hexane SCHEMBL8099313 0.87 TSHR (0.64) ALDH1A1TSHRSMN1; SMN2LMNAHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108558657-A A kind of preparation method of methacrylic acid special type ester 李守莉 2018-09-21 CN claimed
CN-105964007-B Equipment and process for separating n-butyl alcohol-isobutyl alcohol mixture 青岛理工大学 2018-01-09 CN claimed
CN-105964007-A Equipment and process for separating n-butyl alcohol-isobutyl alcohol mixture 青岛理工大学 2016-09-28 CN claimed
CN-103361652-B Neutralizing corrosion inhibitor for distilling apparatuses and preparation method thereof CHINA PETROLEUM & CHEMICAL 2015-05-13 CN claimed
US-20150051400-A1 A PROCESS FOR THE PREPARATION OF METHYLPHENIDATE HYDROCHLORIDE AND ITS INTERMEDIATES THEREOF COHANCE LIFESCIENCES LIMITED (IN) 2015-02-19 US claimed
CN-103359841-B Neutralizing corrosion inhibitor and preparation method thereof CHINA PETROLEUM & CHEMICAL 2014-12-10 CN claimed
CN-103359841-A Neutralizing corrosion inhibitor and preparation method thereof CHINA PETROLEUM & CHEMICAL 2013-10-23 CN claimed
CN-103361652-A Neutralizing corrosion inhibitor for distilling apparatuses and preparation method thereof CHINA PETROLEUM & CHEMICAL 2013-10-23 CN claimed
US-20080234302-A1 Novel Processes for Preparing Amorphous Rosuvastatin Calcium and a Novel Polymorphic Form of Rosuvastatin Sodium RANBAXY LABORATORIES LIMITED (IN) 2008-09-25 US claimed
WO-2008068600-A2 AN IMPROVED PROCESS FOR THE PREPARATION OF ZALEPLO ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2008-06-12 WO claimed
US-7091337-B2 Process for the physical depolymerization of glycosaminoglycanes and products obtained therefrom LABORATORI DERIVATI ORGANICI S.P.A. (IT) 2006-08-15 US claimed
WO-2003050074-A1 MANUFACTURE OF VENLAFAXINE HYDROCHLORIDE AND CRYSTALLINE POLYMORPHS THEREOF CADILA HEALTHCARE LIMITED (IN) 2003-06-19 WO claimed
US-6284349-B1 Image transfer sheet, preparation method thereof and image formation method and image transfer method using the image transfer sheet RICOH COMPANY, LTD. (JP) 2001-09-04 US claimed
US-4931238-A Method for manufacturing a sintered body with high density NIPPON KOKAN KABUSHIKI KAISHA (JP) 1990-06-05 US claimed
US-3954634-A QUATERNARY AMMONIUM S. C. JOHNSON & SON, INC. (US) 1976-05-04 US claimed
WO-2023007429-A1 PREPARATION OF PHENYL SULFILIMINES OR SULFOXIMINES CONTAINING THIAZOLYL-PIPERIDINYL COMPOUNDS AND INTERMEDIATES THEREOF PI INDUSTRIES LTD. (IN) 2023-02-02 WO disclosed
WO-2023007426-A1 NOVEL STYRENE COMPOUNDS AND A PROCESS FOR THE PREPARATION THEREOF PI INDUSTRIES LTD. (IN) 2023-02-02 WO disclosed
US-4521219-A Alcohol based fuels containing corrosion inhibitors ETHYL CORPORATION (US) 1985-06-04 US disclosed
US-4130532-A CAPROLACTONE MODIFIED CIBA-GEIGY AG (CH) 1978-12-19 US disclosed
US-4045595-A APPLYING ADHESIVE THEN THE THERMOPLASTIC COATING, HEATING TO SOFTEN AND SPREAD THE COATING THE BORDEN CHEMICAL COMPANY (CANADA) LIMITED (CA) 1977-08-30 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-20080234302-A1 Novel Processes for Preparing Amorphous Rosuvastatin Calcium and a Novel Polymorphic Form of Rosuvastatin Sodium CYP4A11, CACNA1S, CACNA1B ALDH1A1 4256/4885TSHR 4736/4885SMN1; SMN2 4813/4885
US-20150051400-A1 A PROCESS FOR THE PREPARATION OF METHYLPHENIDATE HYDROCHLORIDE AND ITS INTERMEDIATES THEREOF COMT, CYP3A4, CYP3A43 ALDH1A1 158/4885TSHR 2864/4885SMN1; SMN2 794/4885

“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.