Heptane

Heptane

SCHEMBL6917596

CCCCCCC.ClB(Cl)Cl

nearest known ligand 0.67

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.67
THRB P10828 1/20 0.67
ALDH1A1 P00352 3/20 0.56
DNM1 Q05193 7/20 0.47
LMNA P02545 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
HSD17B10 Q99714 1/20 0.47
SLC22A1 O15245 1/20 0.47
EPHX1 P07099 1/20 0.47

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 SCHEMBL2922117 0.96 TSHR (0.58) TSHRTHRBALDH1A1DNM1LMNA
SCHEMBL198343 0.82 TSHR (1.00) TSHRTHRBALDH1A1DNM1LMNA
Hexadecane SCHEMBL2039121 0.82 TSHR (1.00) TSHRTHRBALDH1A1DNM1LMNA
Tetradecane SCHEMBL10526119 0.82 TSHR (1.00) TSHRTHRBALDH1A1DNM1LMNA
Hexadecane SCHEMBL23499901 0.82 TSHR (1.00) TSHRTHRBALDH1A1DNM1LMNA
SCHEMBL23854647 0.82 TSHR (1.00) TSHRTHRBALDH1A1DNM1LMNA
Tetradecane SCHEMBL25387874 0.82 TSHR (1.00) TSHRTHRBALDH1A1DNM1LMNA
Tetradecane SCHEMBL23924271 0.82 TSHR (1.00) TSHRTHRBALDH1A1DNM1LMNA
Dodecane SCHEMBL4052434 0.82 TSHR (1.00) TSHRTHRBALDH1A1DNM1LMNA
Decane SCHEMBL23499900 0.82 TSHR (1.00) TSHRTHRBALDH1A1DNM1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110041354-A Synthesis method of potassium tetrapentafluorobenzoate 镇江巨杰新材料技术研发中心(有限合伙) 2019-07-23 CN claimed
US-11793069-B2 Electron-accepting compound and composition for charge-transporting film, and luminescent element using same MITSUBISHI CHEMICAL CORPORATION (JP) 2023-10-17 US disclosed
CN-109689647-B Bicyclic heteroaryl substituted compounds 百时美施贵宝公司 2023-01-20 CN disclosed
CN-114106329-B Phospholipid double-layer membrane for nanopore gene sequencing and preparation method thereof 四川大学 2022-08-09 CN disclosed
US-20220209125-A1 ELECTRON-ACCEPTING COMPOUND AND COMPOSITION FOR CHARGE-TRANSPORTING FILM, AND LUMINESCENT ELEMENT USING SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2022-06-30 US disclosed
US-11316112-B2 Electron-accepting compound and composition for charge-transporting film, and luminescent element using same MITSUBISHI CHEMICAL CORPORATION (JP) 2022-04-26 US disclosed
CN-109689664-B Tricyclic heteroaryl substituted quinoline and azaquinoline compounds as PAR4 inhibitors 百时美施贵宝公司 2022-04-15 CN disclosed
CN-114106329-A Phospholipid double-layer membrane for nanopore gene sequencing and preparation method thereof 四川大学 2022-03-01 CN disclosed
CN-108884114-B Electron-accepting compound, composition for charge transport film, and light-emitting element using same 三菱化学株式会社 2022-02-25 CN disclosed
CN-113173942-A Electron-accepting compound, composition for charge transport film, and light-emitting element using same 三菱化学株式会社 2021-07-27 CN disclosed
CN-104641483-B Material for organic electroluminescent element, display device, and lighting device 捷恩智株式会社 2017-06-06 CN disclosed
CN-103429599-B Polycyclc aromatic compound 国立大学法人京都大学 2016-09-07 CN disclosed
US-20160233423-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2016-08-11 US disclosed
EP-1381635-A1 CONTROL OF RESIN SPLIT IN SINGLE-REACTOR MANUFACTURE OF BIMODAL POLYOLEFINS UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 2004-01-21 EP disclosed
CN-1413222-A Mixed ziegler/metallocene catalyst for preparing bimodal polyolefin UNION CARBIDE CHEM PLASTIC (US) 2003-04-23 CN disclosed
EP-1246849-A1 MIXED ZIEGLER/METALLOCENE CATALYSTS FOR THE PRODUCTION OF BIMODAL POLYOLEFINS UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 2002-10-09 EP disclosed
US-6462149-B1 THE MANUFACTURE IN A SINGLE REACTOR OF POLYOLEFIN RESINS HAVING POLYMODAL, ESPECIALLY BIMODAL, MOLECULAR WEIGHT BY EMPLOYING TWO SEPARATE CATALYST SYSTEMS SIMULTANEOUSLY UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION 2002-10-08 US disclosed
WO-2002024768-A1 CONTROL OF RESIN SPLIT IN SINGLE-REACTOR MANUFACTURE OF BIMODAL POLYOLEFINS UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 2002-03-28 WO disclosed
US-20020037979-A1 MIXED ZIEGLER/METALLOCENE CATALYSTS FOR THE PRODUCTION OF BIMODAL POLYOLEFINS UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORP 2002-03-28 US disclosed
WO-2001048029-A1 MIXED ZIEGLER/METALLOCENE CATALYSTS FOR THE PRODUCTION OF BIMODAL POLYOLEFINS UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 2001-07-05 WO 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-11793069-B2 Electron-accepting compound and composition for charge-transporting film, and luminescent element using same SLC26A3, SLC6A19, SLC29A1 TSHR 3739/4885THRB 4073/4885ALDH1A1 1556/4885
US-20160233423-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES CCND2, OXSR1, C1R TSHR 154/4885THRB 2075/4885ALDH1A1 1083/4885
US-20220209125-A1 ELECTRON-ACCEPTING COMPOUND AND COMPOSITION FOR CHARGE-TRANSPORTING FILM, AND LUMINESCENT ELEMENT USING SAME SLC26A3, SLC6A19, SLC29A1 TSHR 3739/4885THRB 4073/4885ALDH1A1 1556/4885
US-11316112-B2 Electron-accepting compound and composition for charge-transporting film, and luminescent element using same SLC26A3, SLC6A19, SLC29A1 TSHR 3739/4885THRB 4073/4885ALDH1A1 1556/4885

“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.