Heptane

Heptane

SCHEMBL4787327

CCCCCCC.COC(=O)O

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.56
GPR84 Q9NQS5 7/20 0.55
PPARG P37231 7/20 0.55
PPARD Q03181 7/20 0.55
PPARA Q07869 7/20 0.55
HDAC11 Q96DB2 5/20 0.55
TSHR P16473 4/20 0.55
PTPN1 P18031 3/20 0.55
ALDH1A1 P00352 2/20 0.55
TLR2 O60603 2/20 0.55
TDP1 Q9NUW8 2/20 0.55
FABP4 P15090 2/20 0.55
SLC22A6 Q4U2R8 1/20 0.55
SLC22A8 Q8TCC7 1/20 0.55
MEN1 O00255 1/20 0.55
ESR1 P03372 1/20 0.55
ALOX15 P16050 1/20 0.55
PDE4A P27815 1/20 0.55
KMT2A Q03164 1/20 0.55
PDE3A Q14432 1/20 0.55

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
Octane SCHEMBL4939049 1.00 EPHX1 (0.56) EPHX1GPR84PPARGPPARDPPARA
Tetradecane SCHEMBL14150228 1.00 EPHX1 (0.56) EPHX1GPR84PPARGPPARDPPARA
Decane SCHEMBL14150227 1.00 EPHX1 (0.56) EPHX1GPR84PPARGPPARDPPARA
Hexane SCHEMBL27816104 0.97 AKR1B1 (0.52) EPHX1GPR84PPARGPPARDPPARA
Hexane SCHEMBL28447683 0.94 EPHX1 (0.50) EPHX1GPR84PPARGPPARDPPARA
SCHEMBL6243434 0.88 CES2 (0.57) EPHX1GPR84PPARGPPARDPPARA
Tridecan-1-Ol SCHEMBL5031187 0.88 TSHR (0.59) EPHX1GPR84PPARGPPARDPPARA
Dodecanol SCHEMBL5031203 0.88 TSHR (0.59) EPHX1GPR84PPARGPPARDPPARA
Decanol SCHEMBL5026676 0.88 TSHR (0.59) EPHX1GPR84PPARGPPARDPPARA
Tetradecylamine SCHEMBL2476226 0.88 DNM1 (0.59) EPHX1GPR84PPARGPPARDPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3490389-B1 FRAGRANCE AND FLAVOR COMPOSITIONS CONTAINING ISOMERIC ALKADIENYL ESTERS BEDOUKIAN RES INC (US) 2024-09-25 EP claimed
EP-3658111-A1 ACTIVE SUBSTANCE COMBINATIONS OF N-(4-AMINO-2-METHYLQUINOLINE-6-YL)-2-((4-ETHYLPHENOXY)METHYL)BENZAMIDE AND ONE OR MORE COSMETICALLY OR DERMATOLOGICALLY ACCEPTABLE AROMATIC SUBSTANCES Beiersdorf AG (DE) 2020-06-03 EP claimed
US-20190192408-A1 COMPOSITION FOR THE PERMANENT DEFORMATION OF HAIR HAVING REDUCED ODOUR WELLA OPERATIONS US, LLC 2019-06-27 US claimed
EP-3490389-A1 FRAGRANCE AND FLAVOR COMPOSITIONS CONTAINING ISOMERIC ALKADIENYL ESTERS Bedoukian Research, Inc. (US) 2019-06-05 EP claimed
EP-3386319-A1 FRAGRANCE AND FLAVOR COMPOSITIONS CONTAINING ISOMERIC ALKADIENALS OR ISOMERIC ALKADIENENITRILES Bedoukian Research, Inc. (US) 2018-10-17 EP claimed
US-10035972-B2 Fragrance and flavor compositions containing isomeric alkadienals or isomeric alkadienenitriles BEDOUKIAN RESEARCH, INC. (US) 2018-07-31 US claimed
WO-2018053183-A1 COMPOSITION FOR THE PERMANENT DEFORMATION OF HAIR HAVING REDUCED ODOUR NOXELL CORPORATION (US) 2018-03-22 WO claimed
WO-2018053065-A1 COMPOSITION FOR THE PERMANENT DEFORMATION OF HAIR HAVING REDUCED ODOUR THE PROCTER & GAMBLE COMPANY (US) 2018-03-22 WO claimed
EP-3295925-A1 COMPOSITION FOR THE PERMANENT DEFORMATION OF HAIR HAVING REDUCED ODOUR Noxell Corporation (US) 2018-03-21 EP claimed
WO-2018022580-A1 FRAGRANCE AND FLAVOR COMPOSITIONS CONTAINING ISOMERIC ALKADIENYL ESTERS BEDOUKIAN RESEARCH, INC. (US) 2018-02-01 WO claimed
WO-2017100426-A1 FRAGRANCE AND FLAVOR COMPOSITIONS CONTAINING ISOMERIC ALKADIENALS OR ISOMERIC ALKADIENENITRILES BEDOUKIAN RESEARCH, INC. (US) 2017-06-15 WO claimed
US-20170166836-A1 FRAGRANCE AND FLAVOR COMPOSITIONS CONTAINING ISOMERIC ALKADIENALS OR ISOMERIC ALKADIENENITRILES BEDOUKIAN RESEARCH, INC. (US) 2017-06-15 US claimed
WO-2024211638-A1 PACKAGED FABRIC REFRESHENING PRODUCT THE PROCTER & GAMBLE COMPANY (US) 2024-10-10 WO disclosed
US-20240336875-A1 PACKAGED FABRIC REFRESHENING PRODUCT THE PROCTER & GAMBLE COMPANY 2024-10-10 US disclosed
EP-3490389-B1 FRAGRANCE AND FLAVOR COMPOSITIONS CONTAINING ISOMERIC ALKADIENYL ESTERS BEDOUKIAN RES INC (US) 2024-09-25 EP disclosed
US-11779530-B2 Composition for the permanent deformation of hair having reduced odor WELLA OPERATIONS US, LLC (US) 2023-10-10 US disclosed
US-20080171683-A1 Premoistened cleaning disposable substrate for leather and method of preserving a leather surface by contacting said surface with said substrate BASF SE (DE) 2008-07-17 US disclosed
US-7378382-B2 Rheologically stabilized silicone dispersions comprising a polydimethylsiloxane mixture THE CLOROX COMPANY (US) 2008-05-27 US disclosed
WO-2005108538-A2 RHEOLOGICALLY STABILIZED SILICONE DISPERSIONS THE CLOROX COMPANY (US) 2005-11-17 WO disclosed
US-20050250668-A1 Rheologically stabilized silicone dispersions JPMORGAN CHASE BANK, N.A., AS COLLATERAL AGENT 2005-11-10 US 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-20190192408-A1 COMPOSITION FOR THE PERMANENT DEFORMATION OF HAIR HAVING REDUCED ODOUR MAL2, MSH6, OR51E2 EPHX1 1385/4885GPR84 1723/4885PPARG 1501/4885
US-11779530-B2 Composition for the permanent deformation of hair having reduced odor OR51E2, MAL2, OR10J3 EPHX1 1766/4885GPR84 1551/4885PPARG 1098/4885
US-20170166836-A1 FRAGRANCE AND FLAVOR COMPOSITIONS CONTAINING ISOMERIC ALKADIENALS OR ISOMERIC ALKADIENENITRILES ALDH3A1, OR51E2, DHCR24 EPHX1 732/4885GPR84 1115/4885PPARG 688/4885
US-10035972-B2 Fragrance and flavor compositions containing isomeric alkadienals or isomeric alkadienenitriles ALDH3A1, OR51E2, DHCR24 EPHX1 732/4885GPR84 1115/4885PPARG 688/4885

“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.