Sugi Predict

Sugi Predict / Compounds / Hexane

Hexane

Hexane

SCHEMBL298023

CC(C)=O.CCCCCC.ClC(Cl)Cl

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 5/20 0.48
▸ ALDH1A1 P00352 4/20 0.48
▸ CES1 P23141 5/20 0.48
▸ CES2 O00748 4/20 0.48
▸ AKR1B1 P15121 1/20 0.46
▸ TP53 P04637 1/20 0.46
▸ GPR84 Q9NQS5 7/20 0.43
▸ PPARG P37231 6/20 0.43
▸ PPARD Q03181 6/20 0.43
▸ PPARA Q07869 6/20 0.43
▸ HDAC11 Q96DB2 5/20 0.43
▸ TLR2 O60603 2/20 0.43
▸ TDP1 Q9NUW8 2/20 0.43
▸ FABP4 P15090 2/20 0.43
▸ PTPN1 P18031 2/20 0.43
▸ SLC22A6 Q4U2R8 1/20 0.43
▸ SLC22A8 Q8TCC7 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ ESR1 P03372 1/20 0.43
▸ ALOX15 P16050 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 SCHEMBL7188274 1.00 TSHR (0.48) TSHRALDH1A1CES1CES2AKR1B1
Hexane SCHEMBL8671525 0.97 TSHR (0.46) TSHRALDH1A1CES1CES2AKR1B1
Hexane SCHEMBL27887625 0.97 CES1 (0.48) TSHRALDH1A1CES1CES2AKR1B1
Hexane SCHEMBL10631991 0.94 AKR1B1 (0.48) TSHRALDH1A1CES1CES2AKR1B1
Hexane SCHEMBL28598100 0.92 TSHR (0.42) TSHRALDH1A1CES1CES2AKR1B1
Hexane SCHEMBL10672351 0.91 AKR1B1 (0.50) TSHRALDH1A1CES1CES2AKR1B1
Hexane SCHEMBL10996735 0.89 TSHR (0.41) TSHRALDH1A1CES1CES2AKR1B1
Hexane SCHEMBL20521853 0.88 AKR1B1 (0.48) TSHRALDH1A1CES1CES2AKR1B1
Hexane SCHEMBL27804479 0.87 TSHR (0.40) TSHRALDH1A1CES1CES2AKR1B1
Hexane SCHEMBL3823541 0.87 CES1 (0.59) TSHRALDH1A1CES1CES2AKR1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112661644-B Terane diterpenoid compound in euphorbia pekinensis fruit as well as preparation method and application thereof 中国科学院新疆理化技术研究所 2022-06-21 — — CN claimed
CN-112661644-A Terane diterpenoid compound in euphorbia pekinensis fruit as well as preparation method and application thereof 中国科学院新疆理化技术研究所 2021-04-16 — — CN claimed
CN-117665188-A Quality detection method of anti-tuberculosis medicinal granules 桂林三金药业股份有限公司 2024-03-08 — — CN disclosed
CN-112661644-B Terane diterpenoid compound in euphorbia pekinensis fruit as well as preparation method and application thereof 中国科学院新疆理化技术研究所 2022-06-21 — — CN disclosed
CN-113773193-A Lanolin alkane type triterpenoid and application thereof in preparation of anti-inflammatory drugs 湖南中医药大学 2021-12-10 — — CN disclosed
EP-3865576-A1 LIGAND-MODIFIED DOUBLE-STRANDED NUCLEIC ACIDS Dicerna Pharmaceuticals, Inc. (US) 2021-08-18 — — EP disclosed
CN-112661644-A Terane diterpenoid compound in euphorbia pekinensis fruit as well as preparation method and application thereof 中国科学院新疆理化技术研究所 2021-04-16 — — CN disclosed
EP-3569711-B1 LIGAND-MODIFIED DOUBLE-STRANDED NUCLEIC ACIDS DICERNA PHARMACEUTICALS INC (US) 2021-02-03 — — EP disclosed
US-20200031862-A1 LIGAND-MODIFIED DOUBLE-STRANDED NUCLEIC ACIDS DICERNA PHARMACEUTICALS, INC. 2020-01-30 — — US disclosed
CN-106749107-B Terpenoid in Roots of Euphorbia soongarica and its preparation method and application 中国科学院新疆理化技术研究所 2019-08-16 — — CN disclosed
EP-3234132-B1 LIGAND-MODIFIED DOUBLE-STRANDED NUCLEIC ACIDS DICERNA PHARMACEUTICALS INC (US) 2019-07-10 — — EP disclosed
US-4299963-A ANTIALLERGENS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1981-11-10 — — US disclosed
US-4255576-A 1-Azaxanthone derivatives TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1981-03-10 — — US disclosed
US-4203901-A Process for making N-(N'-methylenepyrrolidonyl)-2-substituted anilines GAF CORPORATION (US) 1980-05-20 — — US disclosed
US-4202821-A N-(N'-Methylenepyrrolidonyl)-2-substituted anilines GAF CORPORATION (US) 1980-05-13 — — US disclosed
US-4195101-A 2',6'-Dihydroxy-9-(2,5-dihydroxyphenyl)octylphenone and its use as an anti-oxidant The Lion Dentifrice Co. Ltd. (JP) 1980-03-25 — — US disclosed
US-4190656-A VIRICIDES, ANTITUMOR AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1980-02-26 — — US disclosed
US-4178168-A Herbicidal n-(haloacetyl)-n-(n-methylene pyrrolidonyl)-2-oxyalkyleneoxyalkylanilines GAF CORPORATION (US) 1979-12-11 — — US disclosed
US-4143042-A ANTIALLERGENS, BRONCHODILATOR AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1979-03-06 — — US disclosed
US-3951846-A 4-CYANO-4'-ESTER-BIPHENYLS RCA CORPORATION (US) 1976-04-20 — — 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-20200031862-A1 LIGAND-MODIFIED DOUBLE-STRANDED NUCLEIC ACIDS ADAR, NCL, SSU72 TSHR 413/4885ALDH1A1 3796/4885CES1 4321/4885

“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.