Hexane

Hexane

SCHEMBL94686

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.CCCCCC.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 SCHEMBL6720430 1.00 ALDH1A1 (0.78) ALDH1A1LMNAHSD17B10FAAHTSHR
Hexane SCHEMBL4897173 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 731 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116283759-A Preparation method of 2-monofluoromethylquinoline and derivatives thereof 济南大学 2023-06-23 CN claimed
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP claimed
US-20060100431-A1 Biologically active compounds AMURA THERAPEUTICS LIMITED (GB) 2006-05-11 US claimed
EP-4003314-B1 FUNCTIONALIZED LONG-CHAIN HYDROCARBON MONO- AND DI-CARBOXYLIC ACIDS USEFUL FOR THE PREVENTION OR TREATMENT OF DISEASE ESPERVITA THERAPEUTICS INC (US) 2024-07-10 EP disclosed
CN-118251379-A Iron death inhibitor and use thereof 学校法人自治医科大学 2024-06-25 CN disclosed
WO-2024126617-A1 BIFUNCTIONAL COMPOUNDS FOR DEGRADING KINASES VIA UBIQUITIN PROTEOSOME PATHWAY CROSSFIRE ONCOLOGY HOLDING B.V. (NL) 2024-06-20 WO disclosed
CN-118176179-A Novel spiro compounds 田边三菱制药株式会社 2024-06-11 CN disclosed
CN-117865977-A Organic compound, composition containing same and organic electroluminescent device 石家庄诚志永华显示材料有限公司 2024-04-12 CN disclosed
WO-2024075825-A1 CYCLOPENTANE COMPOUND キッセイ薬品工業株式会社 2024-04-11 WO disclosed
US-20240116943-A1 TETRAHYDROBENZOFURODIAZEPINONE COMPOUND AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2024-04-11 US disclosed
US-20240108607-A1 METHOD FOR MANUFACTURING NOVEL NITROGEN-CONTAINING COMPOUND OR SALT THEREOF AND MANUFACTURING INTERMEDIATE OF NOVEL NITROGEN-CONTAINING COMPOUND OR SALT THEREOF FUJIFILM CORPORATION (JP) 2024-04-04 US disclosed
EP-0148953-B1 7-FLUOROPROSTAGLANDINS AND PROCESS FOR THEIR PREPARATION ASAHI GLASS COMPANY LTD. (JP) 1990-09-26 EP disclosed
WO-1990009981-A1 PREPARATION OF OPTICALLY ACTIVE GLYCEROL DERIVATIVES ISIS INNOVATION LIMITED (GB) 1990-09-07 WO disclosed
US-4952710-A STARTING MATERIAL FOR OPTICALLY ACTIVE PROSTAGLANDINS G. D. SEARLE & CO. (US) 1990-08-28 US disclosed
EP-0362816-A1 Cyclopenteneheptanoic acid derivatives and method of preparation thereof G.D. Searle & Co. (US) 1990-04-11 EP disclosed
EP-0360324-A1 Tricyclic aromatase inhibitors AKZO N.V. (NL) 1990-03-28 EP disclosed
US-4900725-A CONTRACEPTIVES ROUSSEL UCLAF (FR) 1990-02-13 US disclosed
US-4822909-A 7-fluoroprostaglandins and process for their production ASASHI GLASS COMPANY LTD. (JP) 1989-04-18 US disclosed
US-4699989-A 7-fluoroprostaglandins and process for their production ASAHI GLASS COMPANY LTD. (JP) 1987-10-13 US disclosed
EP-0148953-A1 7-FLUOROPROSTAGLANDINS AND PROCESS FOR THEIR PREPARATION ASAHI GLASS COMPANY LTD. (JP) 1985-07-24 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 (3 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-20240116943-A1 TETRAHYDROBENZOFURODIAZEPINONE COMPOUND AND PHARMACEUTICAL USE THEREOF PIM1, PIM2, PIM3 ALDH1A1 76/4885LMNA 3718/4885HSD17B10 906/4885
US-20060100431-A1 Biologically active compounds SOST, CTSK, CTSS ALDH1A1 4151/4885LMNA 3686/4885HSD17B10 1043/4885
US-20240108607-A1 METHOD FOR MANUFACTURING NOVEL NITROGEN-CONTAINING COMPOUND OR SALT THEREOF AND MANUFACTURING INTERMEDIATE OF NOVEL NITROGEN-CONTAINING COMPOUND OR SALT THEREOF C9, C5, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 ALDH1A1 3243/4885LMNA 1121/4885HSD17B10 2495/4885

“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.