Hexane

Hexane

SCHEMBL318366

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.CCOC(C)=O.CCOC(C)=O.CCOC(C)=O.CCOC(C)=O.CCOC(C)=O.CCOC(C)=O.CCOC(C)=O.CCOC(C)=O.CCOC(C)=O.CCOC(C)=O.CCOC(C)=O.CCOC(C)=O.CCOC(C)=O.CCOC(C)=O.CCOC(C)=O.CCOC(C)=O.CCOC(C)=O.CCOC(C)=O.CCOC(C)=O.CCOC(C)=O.CCOC(C)=O.CCOC(C)=O.CCOC(C)=O.CCOC(C)=O.CCOC(C)=O.CCOC(C)=O.CCOC(C)=O.CCOC(C)=O.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 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
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 376 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3240772-A1 COMPOUNDS FROM ANTRODIA CAMPHORATA, METHOD FOR PREPARING THE SAME AND USE THEREOF Oneness Biotech Co., Ltd (TW) 2017-11-08 EP claimed
WO-2016107582-A1 COMPOUNDS FROM ANTRODIA CAMPHORATA, METHOD FOR PREPARING THE SAME AND USE THEREOF ONENESS BIOTECH CO., LTD. (CN) 2016-07-07 WO claimed
CN-105732381-A Antrodia camphorata extract and preparation method and application thereof 合生技股份有限公司 2016-07-06 CN claimed
US-20160185703-A1 COMPOUNDS FROM ANTRODIA CAMPHORATA, METHOD FOR PREPARING THE SAME AND USE THEREOF ONENESS BIOTECH CO LTD (TW) 2016-06-30 US claimed
CN-103194502-A Separating and purifying method of taxol synthesized by biological fermentation of nodulisporium sylviforme entophytic fungi as well as precursors of taxol UNIV HEILONGJIANG 2013-07-10 CN claimed
CN-118176179-A Novel spiro compounds 田边三菱制药株式会社 2024-06-11 CN disclosed
WO-2024096067-A1 CYCLIC PEPTIDE DERIVATIVE COMPOSITION FOR TREATING OR PREVENTING NEUROPATHIC PAIN AND/OR INFLAMMATORY PAIN 第一工業製薬株式会社 2024-05-10 WO disclosed
WO-2024096066-A1 CYCLIC PEPTIDE DERIVATIVE COMPOSITION FOR TREATING OR PREVENTING CENTRAL NERVOUS SYSTEM INJURY/DISEASE 第一工業製薬株式会社 2024-05-10 WO disclosed
CN-117964673-A Bridged artificial nucleic acid ALNA 田边三菱制药株式会社 2024-05-03 CN disclosed
CN-117964674-A Bridged artificial nucleic acid ALNA 田边三菱制药株式会社 2024-05-03 CN disclosed
CN-109496153-B Solanum nigrum saponin B and its derivative as hepatocellular carcinoma therapeutic agent 印度政府生物技术部独立机构拉吉夫甘地生物技术中心 2024-04-23 CN disclosed
WO-2024075825-A1 CYCLOPENTANE COMPOUND キッセイ薬品工業株式会社 2024-04-11 WO disclosed
WO-1992020700-A1 UNSATURATED 17β-SUBSTITUTED 3-CARBOXY STEROIDS FARMITALIA CARLO ERBA S.R.L. (IT) 1992-11-26 WO disclosed
US-5145842-A Protein kinase c. modulators. d. ALDER RESEARCH CENTER LIMITED PARTNERSHIP (US) 1992-09-08 US disclosed
WO-1992002484-A1 PROTEIN KINASE C MODULATORS WITH ANTI-INFLAMMATORY AND ANTIVIRAL ACTIVITY ALDER RESEARCH CENTER LIMITED PARTNERSHIP (US) 1992-02-20 WO disclosed
EP-0455271-A2 Anti-inflammatory compositions PROCYON PHARMACEUTICALS, INC. (US) 1991-11-06 EP disclosed
EP-0365089-A2 2-Aryl-5(3-methoxy-5-(hydroxypropylsulfonyl)-4-propoxyphenyl) tetrahydrothiophen and analogs MERCK & CO. INC. (US) 1990-04-25 EP disclosed
EP-0310622-A1 ANTI-INFLAMMATORY COMPOSITIONS. ALDER RES CENTER CORP (US) 1989-04-12 EP disclosed
WO-1987007599-A2 ANTI-INFLAMMATORY COMPOSITIONS ALDER RESEARCH CENTER CORPORATION (US) 1987-12-17 WO disclosed
US-4604387-A BACTERICIDES SANOFI (FR) 1986-08-05 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 (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-20160185703-A1 COMPOUNDS FROM ANTRODIA CAMPHORATA, METHOD FOR PREPARING THE SAME AND USE THEREOF APH1B, ADCYAP1R1, AMPD2 ALDH1A1 214/4885LMNA 4407/4885HSD17B10 306/4885

“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.