Heptane

Heptane

SCHEMBL643237

CCCCCCC.CCCCCCC.CCCCCCC.CCCCCCC.CCCCCCC.CCCCCCC.CCCCCCC.CCCCCCC.CCCCCCC.CCCCCCC.CCOC(C)=O

nearest known ligand 0.74

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.74
LMNA P02545 1/20 0.74
HSD17B10 Q99714 1/20 0.74
FAAH O00519 3/20 0.53
MEN1 O00255 1/20 0.48
MAPT P10636 1/20 0.48
KMT2A Q03164 1/20 0.48
ATM Q13315 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
TSHR P16473 3/20 0.48
NAAA Q02083 1/20 0.48
DGKA P23743 1/20 0.48
CES2 O00748 4/20 0.46
CES1 P23141 3/20 0.46
EPHX1 P07099 1/20 0.45

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
Dodecane SCHEMBL3308504 1.00 ALDH1A1 (0.74) ALDH1A1LMNAHSD17B10FAAHMEN1
Heptane SCHEMBL2399914 1.00 ALDH1A1 (0.74) ALDH1A1LMNAHSD17B10FAAHMEN1
Heptane SCHEMBL1614041 1.00 ALDH1A1 (0.74) ALDH1A1LMNAHSD17B10FAAHMEN1
Dodecane SCHEMBL1747351 1.00 ALDH1A1 (0.74) ALDH1A1LMNAHSD17B10FAAHMEN1
Heptane SCHEMBL1190938 1.00 ALDH1A1 (0.74) ALDH1A1LMNAHSD17B10FAAHMEN1
Heptane SCHEMBL9107982 1.00 ALDH1A1 (0.74) ALDH1A1LMNAHSD17B10FAAHMEN1
Heptane SCHEMBL11904142 1.00 ALDH1A1 (0.74) ALDH1A1LMNAHSD17B10FAAHMEN1
Heptane SCHEMBL276236 1.00 ALDH1A1 (0.74) ALDH1A1LMNAHSD17B10FAAHMEN1
Heptane SCHEMBL1680974 1.00 ALDH1A1 (0.74) ALDH1A1LMNAHSD17B10FAAHMEN1
Hexadecane SCHEMBL3291441 1.00 ALDH1A1 (0.74) ALDH1A1LMNAHSD17B10FAAHMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118139864-A New compounds 西特瑞治疗有限公司 2024-06-04 CN disclosed
WO-2023189319-A1 AMINO COMPOUND, POLYAMIDE ACID AND POLYIMIDE USING SAID AMINO COMPOUND, AND METHOD FOR PRODUCING SAME 日鉄ケミカル&マテリアル株式会社 2023-10-05 WO disclosed
EP-4213883-A1 OLIGONUCLEOTIDES CONJUGATED TO FATTY ACIDS Astrazeneca AB (SE) 2023-07-26 EP disclosed
US-11675267-B2 Resist composition and method for producing resist pattern SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2023-06-13 US disclosed
CN-116133691-A Oligonucleotides conjugated to fatty acids 阿斯利康(瑞典)有限公司 2023-05-16 CN disclosed
WO-2023052783-A1 NOVEL COMPOUNDS SITRYX THERAPEUTICS LIMITED (GB) 2023-04-06 WO disclosed
CN-115286559-A Preparation method of anti-new crown drug Parovirid key intermediate 上海再启生物技术有限公司 2022-11-04 CN disclosed
CN-109415283-B Compound having naphthalene ring, liquid crystal composition, and liquid crystal display element 捷恩智株式会社 2022-04-12 CN disclosed
US-20210311392-A1 RESIST COMPOSITION AND METHOD FOR PRODUCING RESIST PATTERN SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2021-10-07 US disclosed
CN-109705124-B Radioactive fluorine labeled Larotrectinib compound and preparation method thereof 上海健康医学院 2021-09-24 CN disclosed
EP-1265867-A1 NOVEL MALONIC ACID DERIVATES, PROCESSES FOR THEIR PREPARATION, THEIR USE AS INHIBITOR OF FACTOR XA ACTIVITY AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Aventis Pharma Deutschland GmbH (DE) 2002-12-18 EP disclosed
US-20020022596-A1 Novel malonic acid derivatives, processes for their preparation their use and pharmaceutical compositions containing them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2002-02-21 US disclosed
WO-2001062735-A1 NOVEL MALONIC ACID DERIVATIVES, PROCESSES FOR THEIR PREPARATION, THEIR USE AS INHIBITOR OF FACTOR XA ACTIVITY AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2001-08-30 WO disclosed
EP-1127884-A1 Novel malonic acid derivatives, processes for their preparation, their use as inhibitor of factor XA activity and pharmaceutical compositions containing them Aventis Pharma Deutschland GmbH (DE) 2001-08-29 EP disclosed
US-6251917-B1 Benzamidoaldehydes and their use as cysteine protease inhibitors BASF AKTIENGESELLSCHAFT (DE) 2001-06-26 US disclosed
US-6045720-A EXHIBITS A FERROELECTRIC LIQUID CRYSTALLINE PHASE AND AN ANTIFERROELECTRIC LIQUID CRYSTALLINE PHASE BY ITSELF; HIGH SPEED RESPONSE; DISPLAY ELEMENT; OPTICAL SWITCHING ELEMENT; CHISSO CORPORATION (JP) 2000-04-04 US disclosed
CN-1238761-A benzamide aldehydes and their use as cysteine protease inhibitors BASF AG (DE) 1999-12-15 CN disclosed
EP-0926216-A1 Organic electroluminescent device using a triarylamine derivative CHISSO CORPORATION (JP) 1999-06-30 EP disclosed
US-5608069-A TREATMENT OF NERVOUS SYSTEM DISORDERS WITH GAMMA-AMINOBUTYRIC ACID NOVO NORDISK A/S (DK) 1997-03-04 US disclosed
CN-1128990-A N-substituted azaheterocyclic carboxylic acids and esters thereof NOVO NORDISK AS (DK) 1996-08-14 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 (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-20020022596-A1 Novel malonic acid derivatives, processes for their preparation their use and pharmaceutical compositions containing them F12, ME1, F11 ALDH1A1 129/4885LMNA 1644/4885HSD17B10 316/4885

“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.