Heptane

Heptane

SCHEMBL3935940

CCCCCCC.O=C(O)C(F)(F)F

nearest known ligand 0.62

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 8/20 0.62
CES1 P23141 5/20 0.62
CES2 O00748 5/20 0.62
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
HSD17B10 Q99714 2/20 0.62
CYP1A2 P05177 1/20 0.62
EPHX1 P07099 1/20 0.56
PPARG P37231 4/20 0.52
PPARD Q03181 4/20 0.52
PPARA Q07869 4/20 0.52
TSHR P16473 3/20 0.52
GPR84 Q9NQS5 3/20 0.52
HDAC11 Q96DB2 3/20 0.52
ALDH1A1 P00352 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
SLC22A6 Q4U2R8 1/20 0.52
SLC22A8 Q8TCC7 1/20 0.52
TLR2 O60603 1/20 0.52
ESR1 P03372 1/20 0.52

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
Tridecane SCHEMBL27500702 1.00 FAAH (0.62) FAAHCES1CES2MEN1KMT2A
Decane SCHEMBL3416451 1.00 FAAH (0.62) FAAHCES1CES2MEN1KMT2A
Trifluoroacetic Acid SCHEMBL28781369 1.00 FAAH (0.62) FAAHCES1CES2MEN1KMT2A
Dodecane SCHEMBL30416006 1.00 FAAH (0.62) FAAHCES1CES2MEN1KMT2A
Undecane SCHEMBL3628539 1.00 FAAH (0.62) FAAHCES1CES2MEN1KMT2A
Nonane SCHEMBL4255344 1.00 FAAH (0.62) FAAHCES1CES2MEN1KMT2A
Hexadecane SCHEMBL4765353 1.00 FAAH (0.62) FAAHCES1CES2MEN1KMT2A
Octane SCHEMBL1123657 1.00 FAAH (0.62) FAAHCES1CES2MEN1KMT2A
Octane SCHEMBL1696265 1.00 FAAH (0.62) FAAHCES1CES2MEN1KMT2A
Heptane SCHEMBL28333176 1.00 FAAH (0.62) FAAHCES1CES2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240016775-A1 ANTI-CORONAVIRUS APPLICATION OF POLY ADP RIBOSE POLYMERASE INHIBITOR FUKANG (SHANGHAI) HEALTH TECHNOLOGY CO., LTD (CN) 2024-01-18 US claimed
EP-4112049-A1 ANTI-CORONAVIRUS APPLICATION OF POLY ADP RIBOSE POLYMERASE INHIBITOR Fukang (Shanghai) Health Technology Co., Ltd. (CN) 2023-01-04 EP claimed
EP-4486722-A2 COMPOUNDS, COMPOSITIONS, AND METHODS Nico Therapeutics, Inc. (US) 2025-01-08 EP disclosed
EP-4457213-A1 INHIBITING MONOACYLGLYCEROL LIPASE (MAGL) Psy Therapeutics, Inc. (US) 2024-11-06 EP disclosed
CN-118284602-A Pyridine derivatives as sodium channel activators and uses thereof 泽农医药公司 2024-07-02 CN disclosed
EP-4387966-A1 PYRIDAZINONE OR PYRIDINONE COMPOUNDS, PREPARATION METHODS AND USES THEREOF InventisBio Co., Ltd. (CN) 2024-06-26 EP disclosed
CN-113288892-B Use of poly ADP-ribose polymerase inhibitors against coronaviruses 甫康(上海)健康科技有限责任公司 2024-04-26 CN disclosed
CN-117897380-A Pyridazinone or pyridone compounds, process for their preparation and their use 益方生物科技(上海)股份有限公司 2024-04-16 CN disclosed
CN-117897382-A Nitrogen-containing tricyclic compounds and pharmaceutical uses thereof 日本烟草产业株式会社 2024-04-16 CN disclosed
CN-111315734-B Substituted 2-azabicyclo [3.1.1] heptane and 2-azabicyclo [3.2.1] octane derivatives as orexin receptor antagonists 克罗诺斯治疗有限公司 2024-03-08 CN disclosed
CN-117580824-A Modulators of integrated stress pathways 卡里科生命科学有限责任公司 2024-02-20 CN disclosed
CN-102459279-A Therapeutic agents 713 ASTRAZENECA AB 2012-05-16 CN disclosed
CN-101883774-A Thienopyrimidine and pyrazolopyrimidine compounds and their use as MTOR kinase and PI3 kinase inhibitors WYETH CORP 2010-11-10 CN disclosed
CN-101541754-A Azabicyclic compounds as monoamine reuptake inhibitors GLAXO GROUP LTD (GB) 2009-09-23 CN disclosed
CN-101415686-A Amide substituted indazole and benzotriazole derivatives as poly(ADP-ribose)polymerase (PARP) inhibitors ANGELETTI P IST RICHERCHE BIO (IT) 2009-04-22 CN disclosed
US-20090023930-A1 PROCESSES AND INTERMEDIATES FOR THE PREPARATION OF HETEROCYCLIC SULFONAMIDE COMPOUNDS WYETH (US) 2009-01-22 US disclosed
WO-2009012203-A1 PROCESSES AND INTERMEDIATES FOR THE PREPARATION OF HETEROCYCLIC SULFONAMIDE COMPOUNDS WYETH (US) 2009-01-22 WO disclosed
CN-100447140-C 7- ([1,4] di * alk-2-yl) -benzothiazole derivatives as adenosine receptor ligands HOFFMANN LA ROCHE (CH) 2008-12-31 CN disclosed
CN-1871244-A Thiazolopyridine derivatives as adenosine receptor ligands HOFFMANN LA ROCHE (CH) 2006-11-29 CN disclosed
CN-1774437-A 7-([1,4]dioxan-2-yl)-benzothiazole derivatives as adenosine receptor ligands HOFFMANN LA ROCHE (CH) 2006-05-17 CN 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 (2 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-20090023930-A1 PROCESSES AND INTERMEDIATES FOR THE PREPARATION OF HETEROCYCLIC SULFONAMIDE COMPOUNDS SULT1A1, STS, SULT2A1 FAAH 1260/4885CES1 346/4885CES2 171/4885
US-20240016775-A1 ANTI-CORONAVIRUS APPLICATION OF POLY ADP RIBOSE POLYMERASE INHIBITOR PARP3, PARP1, PARP4 FAAH 2648/4885CES1 3226/4885CES2 3503/4885

“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.