Isobutanol

Isobutanol

SCHEMBL5402392

CC(=O)OC(C)C.CC(C)CO

nearest known ligand 0.74

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.74
CHRM2 P08172 1/20 0.43
CHRM4 P08173 1/20 0.43
CHRM1 P11229 1/20 0.43
TBXA2R P21731 1/20 0.43
GALR3 O60755 1/20 0.41
MAPT P10636 1/20 0.41
BLM P54132 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 2/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 2/20 0.35
TRPV1 Q8NER1 1/20 0.35
HCAR2 Q8TDS4 1/20 0.34
ALOX15 P16050 1/20 0.34
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
PRKCA P17252 2/20 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
Propylene Glycol SCHEMBL944726 0.87 TSHR (0.70) TSHRCHRM2CHRM4CHRM1TBXA2R
Alcohol SCHEMBL247964 0.86 TSHR (0.78) TSHRCHRM2CHRM4CHRM1TBXA2R
Ethylene Glycol SCHEMBL1401169 0.86 TSHR (0.78) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL21064874 0.86 TSHR (1.00) TSHRCHRM2CHRM4CHRM1TBXA2R
SCHEMBL19193 0.86
Alcohol SCHEMBL23702395 0.84 TSHR (0.74) TSHRCHRM2CHRM4CHRM1TBXA2R
Alcohol SCHEMBL27846676 0.84 TSHR (0.74) TSHRCHRM2CHRM4CHRM1TBXA2R
Propane SCHEMBL27531646 0.83 TSHR (0.82) TSHRCHRM2CHRM4CHRM1TBXA2R
Ammonia Solution, Strong SCHEMBL5086843 0.83
Methyl Alcohol SCHEMBL584909 0.83

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110137564-B Preparation method of porous solid electrolyte for lithium ion battery 中国科学院合肥物质科学研究院 2021-08-10 CN disclosed
CN-105777869-B The composition of cyclic peptide compound 上海天伟生物制药有限公司 2019-09-27 CN disclosed
CN-110137564-A A kind of porous type solid electrolyte preparation method for lithium ion battery 中国科学院合肥物质科学研究院 2019-08-16 CN disclosed
CN-105777869-A Cyclopeptide-type compound composition 上海天伟生物制药有限公司 2016-07-20 CN disclosed
EP-2989080-A1 PROCESS FOR PREPARING ENANTIOMERICALLY ENRICHED 3-HYDROXYMETHYLPIPERIDINE Reuter Chemische Apparatebau KG (DE) 2016-03-02 EP disclosed
WO-2014173855-A1 PROCESS FOR PREPARING ENANTIOMERICALLY ENRICHED 3-HYDROXYMETHYLPIPERIDINE REUTER CHEMISCHE APPARATEBAU KG (DE) 2014-10-30 WO disclosed
US-7186863-B2 Sertraline compositions TRANSFORM PHARMACEUTICALS, INC. (US) 2007-03-06 US disclosed
US-20050014829-A1 Sertraline compositions TRANSFORM PHARMACEUTICALS, INC. 2005-01-20 US disclosed
CN-1059167-A With 1,1-two chloro-1-fluoroethanes, methylene dichloride and methyl alcohol are the cleaning combination of main component ATOCHEM (FR) 1992-03-04 CN 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 (1 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-20050014829-A1 Sertraline compositions SUCNR1, TST, SORD TSHR 96/4885CHRM2 2003/4885CHRM4 2633/4885

“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.