Butyl Alcohol

Butyl Alcohol

SCHEMBL11765872

CCCCO.CCN(CC)CC

nearest known ligand 0.69

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.69
SMN1; SMN2 Q16637 1/20 0.56
TSHR P16473 5/20 0.53
LMNA P02545 3/20 0.53
HSD17B10 Q99714 2/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA9 Q16790 2/20 0.36
PLA2G1B P04054 1/20 0.34
PLA2G2A P14555 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
MAPK1 P28482 1/20 0.34
HIF1A Q16665 1/20 0.34
THRB P10828 2/20 0.33
HTT P42858 1/20 0.33
DNM1 Q05193 1/20 0.33

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
Butyl Alcohol SCHEMBL27874272 0.97 ALDH1A1 (0.65) ALDH1A1SMN1; SMN2TSHRLMNAHSD17B10
Butyl Alcohol SCHEMBL28064446 0.94 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2TSHRLMNAHSD17B10
1-Hexanol SCHEMBL28320866 0.88 LMNA (0.72) ALDH1A1SMN1; SMN2TSHRLMNAHSD17B10
Dodecanol SCHEMBL27984990 0.88 LMNA (0.72) ALDH1A1SMN1; SMN2TSHRLMNAHSD17B10
Octanol SCHEMBL16516398 0.88 LMNA (0.72) ALDH1A1SMN1; SMN2TSHRLMNAHSD17B10
1,4-Butanediol SCHEMBL27858593 0.87 SMN1; SMN2 (0.53) ALDH1A1SMN1; SMN2TSHRLMNAHSD17B10
1-Hexanol SCHEMBL11007557 0.86 LMNA (0.68) ALDH1A1SMN1; SMN2TSHRLMNAHSD17B10
Hexane SCHEMBL1147860 0.84 SMN1; SMN2 (0.50) ALDH1A1SMN1; SMN2TSHRLMNAHSD17B10
1,6-Hexanediol SCHEMBL29142100 0.84 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2TSHRLMNAHSD17B10
Propanol SCHEMBL4712985 0.83 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2TSHRLMNAHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108658785-A The separation method of difficult separation system containing triethylamine 杭州九清科技有限公司 2018-10-16 CN claimed
US-11718578-B2 Ketamine flow synthesis Université de Liège (BE) 2023-08-08 US disclosed
CN-114678487-A Preparation method of charge transport layer and light emitting diode TCL科技集团股份有限公司 2022-06-28 CN disclosed
US-20220144751-A1 Ketamine flow synthesis GESVAL S.A. (BE) 2022-05-12 US disclosed
US-11286230-B2 Ketamine flow synthesis Université de Liège (BE) 2022-03-29 US disclosed
EP-3700887-B1 PROCESSES FOR THE PREPARATION OF ARYL CYCLOALKYLAMINE DERIVATIVES UNIV LIEGE (BE) 2021-08-04 EP disclosed
US-20200299224-A1 Ketamine flow synthesis GESVAL S.A. (BE) 2020-09-24 US disclosed
EP-3700887-A1 IMPROVEMENTS IN OR RELATING TO ORGANIC MATERIAL Université de Liège (BE) 2020-09-02 EP disclosed
CN-108658785-B The separation method of difficult separation system containing triethylamine 杭州九清科技有限公司 2019-04-16 CN disclosed
CN-108658785-A The separation method of difficult separation system containing triethylamine 杭州九清科技有限公司 2018-10-16 CN disclosed
CN-102372851-A Bridged polysilsesquioxane aerogel and preparation method thereof CHINESE ACAD INST CHEMISTRY 2012-03-14 CN disclosed
CN-101300258-A 5-OXO-5,8-dihydro-pyrido-pyrimidines as inhibitors of C-FMS kinase JANSSEN PHARMACEUTICA NV (BE) 2008-11-05 CN disclosed
CN-1898243-A Bicyclic heterocyclic p-38 kinase inhibitors NOVARTIS AG (CH) 2007-01-17 CN disclosed
CN-1576273-A Process for Producing Aliprazo CHONGQING MEDICAL INDUSTRY RES (CN) 2005-02-09 CN disclosed
US-3981828-A ISOCYANATE TRIMERIZATION CATALYSTS BASF WYANDOTTE CORPORATION (US) 1976-09-21 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 (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-11286230-B2 Ketamine flow synthesis OPRL1, HTR4, KCNQ4 ALDH1A1 2512/4885SMN1; SMN2 2908/4885TSHR 1452/4885
US-20200299224-A1 Ketamine flow synthesis OPRL1, HTR4, KCNQ4 ALDH1A1 2512/4885SMN1; SMN2 2908/4885TSHR 1452/4885
US-11718578-B2 Ketamine flow synthesis OPRL1, HTR4, KCNQ4 ALDH1A1 2512/4885SMN1; SMN2 2908/4885TSHR 1452/4885
US-20220144751-A1 Ketamine flow synthesis OPRL1, HTR4, KCNQ4 ALDH1A1 2512/4885SMN1; SMN2 2908/4885TSHR 1452/4885

“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.