Heptane

Heptane

SCHEMBL350561

CC(=O)OC(C)C.CCCCCCC

nearest known ligand 0.67

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.67
LMNA P02545 2/20 0.63
PRKCA P17252 2/20 0.47
FAAH O00519 3/20 0.46
ALDH1A1 P00352 1/20 0.44
MAPT P10636 2/20 0.44
MAPK1 P28482 2/20 0.44
CES2 O00748 4/20 0.43
CES1 P23141 3/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TRPV1 Q8NER1 1/20 0.41

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 SCHEMBL2123028 1.00 TSHR (0.67) TSHRLMNAPRKCAFAAHALDH1A1
Octane SCHEMBL10883673 1.00 TSHR (0.67) TSHRLMNAPRKCAFAAHALDH1A1
Hexane SCHEMBL372207 0.98 TSHR (0.70) TSHRLMNAPRKCAFAAHALDH1A1
Hexane SCHEMBL15841420 0.95 TSHR (0.67) TSHRLMNAPRKCAFAAHALDH1A1
Pentane SCHEMBL4454016 0.93 TSHR (0.70) TSHRLMNAPRKCAFAAHALDH1A1
1-Heptanol SCHEMBL28115487 0.92 TSHR (0.56) TSHRLMNAPRKCAFAAHALDH1A1
2-Nonanone SCHEMBL15841421 0.90 LMNA (0.63) TSHRLMNAPRKCAFAAHALDH1A1
1-Pentanol SCHEMBL11376862 0.89 TSHR (0.58) TSHRLMNAPRKCAFAAHALDH1A1
Palmitic Acid SCHEMBL28655448 0.88 GPR84 (0.63) TSHRLMNAALDH1A1MAPTMEN1
Myristic Acid SCHEMBL28574672 0.88 GPR84 (0.63) TSHRLMNAALDH1A1MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117865769-A Separation method of n-heptane-isopropyl acetate-toluene 扬州贝尔新环境科技有限公司 2024-04-12 CN claimed
WO-2023051753-A1 PREPARATION METHOD FOR ROCK INHIBITOR, INTERMEDIATE THEREOF AND PREPARATION METHOD FOR INTERMEDIATE 武汉朗来科技发展有限公司 2023-04-06 WO claimed
CN-115894463-A Preparation method of ROCK inhibitor, intermediate thereof and preparation method of intermediate 武汉朗来科技发展有限公司 2023-04-04 CN claimed
US-20220289587-A1 A NOVEL POLYMORPH AND USES THEREOF PROCYPRA THERAPEUTICS, LLC (US) 2022-09-15 US claimed
EP-4025223-A1 A NOVEL POLYMORPH AND USES THEREOF Procypra Therapeutics, LLC (US) 2022-07-13 EP claimed
WO-2021046092-A1 A NOVEL POLYMORPH AND USES THEREOF PROCYPRA THERAPEUTICS, LLC (US) 2021-03-11 WO claimed
US-20170362183-A1 PYRAZOLYL CARBOXYLIC ACID AND PYRAZOLYL UREA DERIVATIVE COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2017-12-21 US claimed
CN-106397515-A An improved sofosbuvir preparation method 广东东阳光药业有限公司 2017-02-15 CN claimed
CN-103664837-B A kind of preparation method of high purity Cabazitaxel intermediate BEIJING SUN-NOVO PHARMACEUTICAL RESEARCH CO., LTD. (CN) 2016-01-20 CN claimed
WO-2024116127-A1 VENGLUSTAT IN COMBINATION WITH A STRONG OR MODERATE INHIBITOR OF CYP3A4 GENZYME CORPORATION (US) 2024-06-06 WO disclosed
EP-4126855-B1 COMPOUNDS AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTIONS HOFFMANN LA ROCHE (CH) 2024-04-24 EP disclosed
US-11958864-B2 Tetracyclic heterocycle compounds useful as HIV integrase inhibitors MERCK SHARP & DOHME LLC (US) 2024-04-16 US disclosed
US-11958845-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2024-04-16 US disclosed
EP-4349408-A2 METHODS FOR TREATING PROTEINOPATHIES Genzyme Corporation (US) 2024-04-10 EP disclosed
CN-1216532-A Method of preparing phosphodiesterase IV inhibitors MERCK & CO INC (US) 1999-05-12 CN disclosed
US-5728838-A REDUCTIVE ALKYLATION AND REMOVAL OF SULFINYL GROUPS MERCK & CO., INC. (US) 1998-03-17 US disclosed
CN-1152920-A Palladium-Catalyzed Ring Closure of Triazolyl Tryptamine MERCK & CO INC (US) 1997-06-25 CN disclosed
EP-0763032-A1 PALLADIUM CATALYZED RING CLOSURE OF TRIAZOLYL TRYPTAMINE MERCK & CO. INC. (US) 1997-03-19 EP disclosed
US-5567824-A CATALYZING THE CYCLIZATION IN PRESENCE OF A SOLVENT AND A PROTON ACCEPTOR MERCK & CO., INC. (US) 1996-10-22 US disclosed
WO-1995032197-A1 PALLADIUM CATALYZED RING CLOSURE OF TRIAZOLYL TRYPTAMINE MERCK & CO., INC. (US) 1995-11-30 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 (3 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-11958864-B2 Tetracyclic heterocycle compounds useful as HIV integrase inhibitors CDKN1A, TYMP, TYMS TSHR 3580/4885LMNA 2508/4885PRKCA 3261/4885
US-20170362183-A1 PYRAZOLYL CARBOXYLIC ACID AND PYRAZOLYL UREA DERIVATIVE COMPOUNDS UROD, PEPD, CMPK1 TSHR 3601/4885LMNA 4266/4885PRKCA 941/4885
US-11958845-B2 Heterocyclic compound HDAC6, HDAC1, HDAC5 TSHR 3746/4885LMNA 3611/4885PRKCA 3179/4885

“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.