Hexane

Hexane

SCHEMBL94510

CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCCCCC.CCOC(C)=O.CCOC(C)=O.CCOC(C)=O.CCOC(C)=O.CCOC(C)=O.CCOC(C)=O

nearest known ligand 0.78

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.78
LMNA P02545 1/20 0.78
HSD17B10 Q99714 1/20 0.78
FAAH O00519 3/20 0.50
TSHR P16473 3/20 0.48
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46
ATM Q13315 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
NAAA Q02083 1/20 0.44
DGKA P23743 1/20 0.44
CES2 O00748 2/20 0.43
ALOX15 P16050 1/20 0.43
MGAM O43451 1/20 0.43
GAA P10253 1/20 0.43
SI P14410 1/20 0.43
MGAM2 Q2M2H8 1/20 0.43
CES1 P23141 1/20 0.43
SOAT1 P35610 1/20 0.43

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
Hexane SCHEMBL10002813 1.00 ALDH1A1 (0.78) ALDH1A1LMNAHSD17B10FAAHTSHR
Hexane SCHEMBL318366 1.00 ALDH1A1 (0.78) ALDH1A1LMNAHSD17B10FAAHTSHR
Hexane SCHEMBL15769141 1.00 ALDH1A1 (0.78) ALDH1A1LMNAHSD17B10FAAHTSHR
Hexane SCHEMBL514605 1.00 ALDH1A1 (0.78) ALDH1A1LMNAHSD17B10FAAHTSHR
Hexane SCHEMBL57827 1.00 ALDH1A1 (0.78) ALDH1A1LMNAHSD17B10FAAHTSHR
Hexane SCHEMBL301207 1.00 ALDH1A1 (0.78) ALDH1A1LMNAHSD17B10FAAHTSHR
Hexane SCHEMBL637278 1.00 ALDH1A1 (0.78) ALDH1A1LMNAHSD17B10FAAHTSHR
Hexane SCHEMBL4960168 1.00 ALDH1A1 (0.78) ALDH1A1LMNAHSD17B10FAAHTSHR
Hexane SCHEMBL94686 1.00 ALDH1A1 (0.78) ALDH1A1LMNAHSD17B10FAAHTSHR
Hexane SCHEMBL6720430 1.00 ALDH1A1 (0.78) ALDH1A1LMNAHSD17B10FAAHTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240116943-A1 TETRAHYDROBENZOFURODIAZEPINONE COMPOUND AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2024-04-11 US disclosed
WO-2023163140-A1 INDAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF 日本たばこ産業株式会社 2023-08-31 WO disclosed
EP-4227308-A1 TETRAHYDROBENZOFURODIAZEPINONE COMPOUNDS AND PHARMACEUTICAL APPLICATIONS THEREOF Japan Tobacco Inc. (JP) 2023-08-16 EP disclosed
CN-116437927-A Tetrahydrobenzodiazepine ketone compound and pharmaceutical application thereof 日本烟草产业株式会社 2023-07-14 CN disclosed
US-11643417-B2 Tetrahydrobenzofurodiazepinone compound and pharmaceutical use thereof JAPAN TOBACCO INC. (JP) 2023-05-09 US disclosed
US-20220162220-A1 TETRAHYDROBENZOFURODIAZEPINONE COMPOUND AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2022-05-26 US disclosed
US-20210238136-A1 AZETIDINE DERIVATIVE, AND PRODRUG THEREOF DAIICHI SANKYO COMPANY, LIMITED (JP) 2021-08-05 US disclosed
EP-3805203-A1 AZETIDINE DERIVATIVE, AND PRODRUG THEREOF Daiichi Sankyo Company, Limited (JP) 2021-04-14 EP disclosed
EP-2871178-B1 CATIONIC LIPID KYOWA KIRIN CO LTD (JP) 2020-12-23 EP disclosed
CN-104640847-B Novel Renin Inhibitors 上海医药集团股份有限公司 2019-10-15 CN disclosed
US-20120065231-A1 THIOPHENE DERIVATIVE SUMITOMO CHEMICAL COMPANY LTD. (JP) 2012-03-15 US disclosed
EP-2426117-A1 THIOPHENE DERIVATIVE Sumitomo Chemical Company, Limited (JP) 2012-03-07 EP disclosed
US-7022310-B2 Stable isotope-labeled amino acid and method for incorporating same into target protein AGENCY OF INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2006-04-04 US disclosed
US-20050084452-A1 Stable isotope-labeled amino acid and method for incorporating same into target protein JAPANESE SCIENCE AND TECHNOLOGY AGENCY 2005-04-21 US disclosed
EP-0807675-B1 Optically active compound, liquid crystal compositions containing the optically active compound, and liquid crystal display device MITSUBISHI GAS CHEMICAL CO (JP) 2001-08-22 EP disclosed
EP-0844294-B1 Racemic compound and anti-ferroelectric liquid crystal composition containing the compound MITSUBISHI GAS CHEMICAL CO (JP) 2001-08-16 EP disclosed
US-5985172-A LARGE-SIZED LIQUID CRYSTAL DISPLAY DEVICE OF HIGHER PERFORMANCE THAT HAS A HIGHER DISPLAY CAPACITY AND A HIGHER DISPLAY QUALITY MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1999-11-16 US disclosed
US-5840209-A DRIVEN BY A VOLTAGE CARRIED OUT BY SWITCHING AMONG ONE ANTI-FERROELECTRIC STATE AND TWO FERRIELECTRIC STATES MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1998-11-24 US disclosed
EP-0844294-A1 Racemic compound and anti-ferroelectric liquid crystal composition containing the compound MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1998-05-27 EP disclosed
EP-0807675-A1 Optically active compound, liquid crystal compositions containing the optically active compound, and liquid crystal display device MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1997-11-19 EP 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-20120065231-A1 THIOPHENE DERIVATIVE AR, NR5A1, SHBG ALDH1A1 729/4885LMNA 4681/4885HSD17B10 126/4885
US-20240116943-A1 TETRAHYDROBENZOFURODIAZEPINONE COMPOUND AND PHARMACEUTICAL USE THEREOF PIM1, PIM2, PIM3 ALDH1A1 76/4885LMNA 3718/4885HSD17B10 906/4885
US-11643417-B2 Tetrahydrobenzofurodiazepinone compound and pharmaceutical use thereof PIM1, PIM2, PIM3 ALDH1A1 76/4885LMNA 3718/4885HSD17B10 906/4885
US-20050084452-A1 Stable isotope-labeled amino acid and method for incorporating same into target protein GEMIN5, ATIC, AIP ALDH1A1 4079/4885LMNA 3406/4885HSD17B10 2888/4885
US-20220162220-A1 TETRAHYDROBENZOFURODIAZEPINONE COMPOUND AND PHARMACEUTICAL USE THEREOF PIM1, PIM2, PIM3 ALDH1A1 76/4885LMNA 3718/4885HSD17B10 906/4885
US-20210238136-A1 AZETIDINE DERIVATIVE, AND PRODRUG THEREOF IFNG, IFNAR1, TLR9 ALDH1A1 1128/4885LMNA 2362/4885HSD17B10 4394/4885

“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.