Heptane

Heptane

SCHEMBL6217

CC(C)O.CCCCCCC

nearest known ligand 0.61

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.61
THRB P10828 1/20 0.61
SPHK1 Q9NYA1 1/20 0.55
LMNA P02545 4/20 0.53
ALDH1A1 P00352 2/20 0.53
HSD17B10 Q99714 1/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
GPR84 Q9NQS5 3/20 0.48
FFAR1 O14842 1/20 0.48
DNM1 Q05193 1/20 0.47
SMN1; SMN2 Q16637 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
Heptane SCHEMBL9263200 1.00 TSHR (0.61) TSHRTHRBSPHK1LMNAALDH1A1
Isopropyl Alcohol SCHEMBL28547099 1.00 TSHR (0.61) TSHRTHRBSPHK1LMNAALDH1A1
Heptane SCHEMBL29253938 1.00 TSHR (0.61) TSHRTHRBSPHK1LMNAALDH1A1
Dodecane SCHEMBL15048503 1.00 TSHR (0.61) TSHRTHRBSPHK1LMNAALDH1A1
Decane SCHEMBL11321882 1.00 TSHR (0.61) TSHRTHRBSPHK1LMNAALDH1A1
Octane SCHEMBL28183932 1.00 TSHR (0.61) TSHRTHRBSPHK1LMNAALDH1A1
Heptane SCHEMBL652606 0.96 TSHR (0.57) TSHRTHRBSPHK1LMNAALDH1A1
Heptane SCHEMBL13720875 0.96 TSHR (0.57) TSHRTHRBSPHK1LMNAALDH1A1
Heptane SCHEMBL1399518 0.96 TSHR (0.57) TSHRTHRBSPHK1LMNAALDH1A1
Hexane SCHEMBL23068705 0.96 TSHR (0.54) TSHRTHRBSPHK1LMNAALDH1A1

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 1942 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240109848-A1 PROCESS FOR THE PREPARATION OF IMIDAZOBENZODIAZEPINES ODH IP Corp. (US) 2024-04-04 US claimed
WO-2024046279-A1 POLYMORPH OF MAO-B INHIBITOR PRODRUG, AND PREPARATION METHOD THEREFOR AND USE THEREOF 广州市恒诺康医药科技有限公司 2024-03-07 WO claimed
CN-114609273-B Based on solid phase extraction-UPC 2 Method for separating and determining florfenicol enantiomer and metabolite thereof in pork 杭州海关技术中心 2023-07-18 CN claimed
CN-114609276-B Method for determining florfenicol enantiomer and metabolite thereof in fish meat by ultra-high performance synthetic phase chromatography 杭州海关技术中心 2023-05-26 CN claimed
CN-115494190-A Method for simultaneously determining residual quantity of triadimefon and triadimenol enantiomer serving as metabolite of triadimefon in fruit and vegetable paste 浙江省检验检疫科学技术研究院 2022-12-20 CN claimed
CN-110554107-B Method for analyzing triglyceride components in edible oil by high performance liquid chromatography-mass spectrometry 上海应用技术大学 2022-06-10 CN claimed
CN-114609273-A Based on solid phase extraction-UPC2Method for separating and determining florfenicol enantiomer and metabolite thereof in pork 杭州海关技术中心 2022-06-10 CN claimed
CN-114609276-A Method for determining florfenicol enantiomer and metabolite thereof in fish through ultra-high performance synthesis phase chromatography 杭州海关技术中心 2022-06-10 CN claimed
CN-110554106-B Identification method for adulteration of vegetable oil 上海应用技术大学 2022-05-31 CN claimed
CN-114436790-A Synthesis method of 6-methoxy-1-tetralone 浙江仙居君业药业有限公司 2022-05-06 CN claimed
US-20020042927-A1 Meiosis activating sterol augments implantation rate NOVO NORDISK A/S (DK) 2002-04-11 US claimed
EP-1157096-A2 CULTURE MEDIUM COMPRISING MEIOSIS ACTIVATING STEROLS (MAS) AND METHOD FOR INVITRO FERTILISATION NOVO NORDISK A/S (DK) 2001-11-28 EP claimed
US-20010014745-A1 PROCESS FOR THE PREPARTION OF 6-(ARYLCARBONYL)-4-OXIMO-DIHYDROBENZOTHIOPYRAN HERBICIDES AND INTERMEDIATES USEFUL THEREIN DOEHNER JR ROBERT FRANCIS (US) 2001-08-16 US claimed
EP-0915092-B1 Process for the preparation of 6-(arylcarbonyl)-4-oximo-dihydrobenzothiopyran herbicides and intermediates useful therein BASF AG (DE) 2001-06-13 EP claimed
WO-2000052142-A2 CULTURE MEDIUM COMPRISING MEIOSIS ACTIVATING STEROLS (MAS) AND METHOD FOR IN VITRO FERTILISATION NOVO NORDISK A/S (DK) 2000-09-08 WO claimed
US-6008402-A REACTING CYCLOHEXADIENECARBOXYLATE-4-ONE COMPOUND WITH A BETA MERCAPTOPROPIONIC ACID TO GIVE THIOENOL, CYCLODEHYDRATING THE THIOENOL AMERICAN CYANAMID COMPANY (US) 1999-12-28 US claimed
EP-0915898-A1 CRYSTAL FORM I OF CLARITHROMYCIN Abbott Laboratories (US) 1999-05-19 EP claimed
EP-0915092-A1 Process for the preparation of 6-(arylcarbonyl)-4-oximo-dihydrobenzothiopyran herbicides and intermediates useful therein American Cyanamid Company (US) 1999-05-12 EP claimed
US-5858986-A CONVERTING ERYTHROMYCIN A INTO ITS 9-OXIME DERIVATIVE; PROTECTING 2' AND 4? HYDROXY GROUPS; METHYLATION; DEPROTECTING AND DEOXIMATING; TREATING WITH SOLVENT; ISOLATION; DRYING ABBOTT LABORATORIES (US) 1999-01-12 US claimed
WO-1998004573-A1 CRYSTAL FORM I OF CLARITHROMYCIN ABBOTT LABORATORIES (US) 1998-02-05 WO claimed

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-20240109848-A1 PROCESS FOR THE PREPARATION OF IMIDAZOBENZODIAZEPINES CYP3A4, CYP3A5, CYP3A7 TSHR 962/4885THRB 1803/4885SPHK1 3279/4885
US-20010014745-A1 PROCESS FOR THE PREPARTION OF 6-(ARYLCARBONYL)-4-OXIMO-DIHYDROBENZOTHIOPYRAN HERBICIDES AND INTERMEDIATES USEFUL THEREIN DDT, CYP4X1, CYP2B6 TSHR 1654/4885THRB 1736/4885SPHK1 2263/4885

“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.