Sugi Predict

Sugi Predict / Compounds / Hexane

Hexane

Hexane

SCHEMBL547747

CCCCCC.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 474 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240166627-A1 Terpyridinedione compound or salt thereof, and preparation method and application thereof SHENZHEN SALUBRIS PHARMACEUTICALS CO., LTD. (CN) 2024-05-23 — — US disclosed
US-20240116943-A1 TETRAHYDROBENZOFURODIAZEPINONE COMPOUND AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2024-04-11 — — US disclosed
WO-2024053648-A1 LIPID NANOPARTICLES 国立大学法人九州大学 2024-03-14 — — WO disclosed
WO-2023246677-A1 INDOLE-PHENYLPIPERIDINE COMPOUND, METHOD FOR PREPARING SAME, AND USE THEREOF 深圳信立泰药业股份有限公司 2023-12-28 — — WO disclosed
CN-116648244-B Terpyridyl dione compound or salt thereof, and preparation method and application thereof 深圳信立泰药业股份有限公司 2023-12-15 — — CN disclosed
CN-114728917-B Oxamide derivative, preparation method and medical application thereof 深圳信立泰药业股份有限公司 2023-12-08 — — CN disclosed
US-20230393157-A1 PHOSPHATIDYLALKANOL HOMOLOGUES HAVING LABELLED MOIETIES CHIRON AS (NO) 2023-12-07 — — US disclosed
US-20230348438-A1 PYRAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2023-11-02 — — US disclosed
CN-116888136-A Method for preparing oligonucleotides 味之素株式会社 2023-10-13 — — CN 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-0309766-A2 N-acylamino acid derivatives and their use BANYU PHARMACEUTICAL CO., LTD. (JP) 1989-04-05 — — EP disclosed
EP-0301751-A1 Pyridinium derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1989-02-01 — — EP disclosed
CN-88100804-A Substituted amine derivatives, their preparation and use — 1988-08-24 — — CN disclosed
EP-0268377-A2 Glutamic acid derivatives, processes and intermediates for their preparation and pharmaceutical formulations containing them THE WELLCOME FOUNDATION LIMITED (GB) 1988-05-25 — — EP disclosed
EP-0238061-A2 Cephalosporin derivatives, processes for their preparation and antibacterial agents Banyu Pharmaceutical Co., Ltd. (JP) 1987-09-23 — — EP disclosed
EP-0232776-A2 2,5,6,7-tetranor-4,8-inter-m-phenylene PGI2 derivatives TORAY INDUSTRIES, INC. (JP) 1987-08-19 — — EP disclosed
US-4587341-A BACTERICIDES BURROUGHS WELLCOME CO. (US) 1986-05-06 — — US disclosed
EP-0051284-B1 NOVEL THIAPROSTAGLANDIN E1 DERIVATIVES, PROCESS FOR PRODUCTION THEREOF, AND PHARMACEUTICALS CONTAINING THESE COMPOUNDS TEIJIN LIMITED (JP) 1985-01-09 — — EP disclosed
EP-0096214-A1 Antibacterial pyrimidine compounds THE WELLCOME FOUNDATION LIMITED (GB) 1983-12-21 — — EP disclosed
US-4182866-A CEPHALOSPORINS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1980-01-08 — — 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-20240166627-A1 Terpyridinedione compound or salt thereof, and preparation method and application thereof TNF, MAPKAPK2, MAPK1 ALDH1A1 1070/4885LMNA 4712/4885HSD17B10 607/4885
US-20230348438-A1 PYRAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF CYP2C19, CYP3A7, CYP3A5 ALDH1A1 1200/4885LMNA 4349/4885HSD17B10 1423/4885
US-20240116943-A1 TETRAHYDROBENZOFURODIAZEPINONE COMPOUND AND PHARMACEUTICAL USE THEREOF PIM1, PIM2, PIM3 ALDH1A1 76/4885LMNA 3718/4885HSD17B10 906/4885
US-20230393157-A1 PHOSPHATIDYLALKANOL HOMOLOGUES HAVING LABELLED MOIETIES PHOSPHO1, SGMS2, SGMS1 ALDH1A1 4105/4885LMNA 2163/4885HSD17B10 724/4885

“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.