Heptanal

Heptanal

SCHEMBL1664616

CCCCCCC=O.CCOC(C)OCC

nearest known ligand 0.64

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.64
FAAH O00519 3/20 0.57
TRPV1 Q8NER1 2/20 0.57
LMNA P02545 1/20 0.48
ADH1B P00325 2/20 0.39
ADH1C P00326 2/20 0.39
ADH1A P07327 2/20 0.39
ADH4 P08319 2/20 0.39
ADH7 P40394 2/20 0.39
EPHX1 P07099 1/20 0.39
MEN1 O00255 1/20 0.37
TP53 P04637 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
SOAT1 P35610 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 2/20 0.37

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
Decanal SCHEMBL598213 1.00 TSHR (0.64) TSHRFAAHTRPV1LMNAADH1B
Decanal SCHEMBL597465 1.00 TSHR (0.64) TSHRFAAHTRPV1LMNAADH1B
Decanal SCHEMBL6949312 1.00 TSHR (0.64) TSHRFAAHTRPV1LMNAADH1B
Hexanal SCHEMBL10352184 0.98 TSHR (0.60) TSHRFAAHTRPV1LMNAADH1B
Decanal SCHEMBL5144514 0.96 TSHR (0.59) TSHRFAAHTRPV1LMNAADH1B
Heptanal SCHEMBL873107 0.93 TSHR (0.55) TSHRFAAHTRPV1LMNAMEN1
Pentanal SCHEMBL9295530 0.92 TSHR (0.61) TSHRFAAHTRPV1LMNAADH1B
Hexanal SCHEMBL18339145 0.91 TSHR (0.52) TSHRFAAHTRPV1LMNAMEN1
Undecanal SCHEMBL20269232 0.90 TSHR (0.52) TSHRFAAHTRPV1LMNAMEN1
Decanal SCHEMBL19357144 0.88 TSHR (0.50) TSHRFAAHTRPV1LMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12187978-B2 Use of (3-acetoxy-2,2-dimethyl-propyl) acetate in combination with (3-hydroxy-2,2-dimethyl-propyl) acetate as an aroma chemical BASF SE (DE) 2025-01-07 US claimed
WO-2011147455-A1 FLAVORING SUBSTANCE-INCLUDED COMPOUNDS SYMRISE AG (DE) 2011-12-01 WO claimed
EP-4731617-A1 USE OF DIHYDROPYRAN DERIVATIVES AS AROMA CHEMICALS BASF SE (DE) 2026-04-29 EP disclosed
EP-4728447-A1 ENVIRONMENTAL ATTRIBUTES FOR AROMA CHEMICAL BASF SE (DE) 2026-04-22 EP disclosed
EP-4716732-A1 USE OF ALKYL 4-ALKOXYPENTANOATES AS AROMA CHEMICALS BASF SE (DE) 2026-04-01 EP disclosed
EP-4077299-B1 SUBSTITUTED 4-METHYLENE-TETRAHYDROPYRANS, 4-METHYL-DIHYDROPYRANS AND 4-METHYL-TETRAHYDROPYRANS AND USE THEREOF AS AROMA CHEMICALS BASF SE (DE) 2026-04-01 EP disclosed
US-12551420-B2 1-alkoxyethyl-3-isobutyl-benzene and 1-carboxyethyl-3-isobutyl-benzene as aroma ingredients BASF SE (DE) 2026-02-17 US disclosed
US-12552732-B2 Cyclopropanated sandalwood type compounds SYMRISE AG (DE) 2026-02-17 US disclosed
US-12492356-B2 Oxa-sandalwood-type fragrance compounds SYMRISE AG (DE) 2025-12-09 US disclosed
US-12492355-B2 2,4-diethylocta-2,6-dienal and its use as aroma chemical BASF SE (DE) 2025-12-09 US disclosed
US-20250368600-A1 USE OF CYCLOHOMOGERANATE ESTERS AS AROMA CHEMICALS BASF SE (DE) 2025-12-04 US disclosed
US-20090131299-A1 3-Methylbenzyl-Isobutyrate SYMRISE GMBH & CO. KG (DE) 2009-05-21 US disclosed
US-20090081140-A1 woody odor serving for nutrition, oral care or pleasure; sandalwood odor for creation of new perfume oils in the cosmetic fragrance industry; 6-methyl-4-(2',2',3'-trimethyl-3'-cyclopenten-1'-yl)-2-cyclohexen-1-one SYMRISE GMBH & CO. KG (DE) 2009-03-26 US disclosed
US-7494967-B2 3-methylbenzyl-isobutyrate SYMRISE GMBH & CO. KG (DE) 2009-02-24 US disclosed
US-7439403-B2 Aldehydes substituted in alpha position by alkyl residues as odoriferous and aroma substances SYMRISE GMBH & CO. KG (DE) 2008-10-21 US disclosed
US-20080234174-A1 FURANOID AND PYRANOID C14-C18- OXABICYCLOALKANONES AS ODORIFEROUS AND/OR AROMA SUBSTANCES SYMRISE GMBH & CO. KG (DE) 2008-09-25 US disclosed
US-20080015392-A1 Aldehydes substituted in alpha position by alkyl residues as odoriferous and aroma substances SYMRISE GMBH & CO. KG (DE) 2008-01-17 US disclosed
US-20070191258-A1 3-Methylbenzyl-isobutyrate SYMRISE GMBH & CO. KG (DE) 2007-08-16 US disclosed
US-20050220981-A1 Aroma particles SYMRISE AG (DE) 2005-10-06 US disclosed
US-6844302-B1 Encapsulated flavor and fragrance INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2005-01-18 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 (8 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-12552732-B2 Cyclopropanated sandalwood type compounds FAAH2, ADCY10, OR10J3 TSHR 4658/4885FAAH 5/4885TRPV1 38/4885
US-20090081140-A1 woody odor serving for nutrition, oral care or pleasure; sandalwood odor for creation of new perfume oils in the cosmetic fragrance industry; 6-methyl-4-(2',2',3'-trimethyl-3'-cyclopenten-1'-yl)-2-cyclohexen-1-one KAT7, FASN, F7 TSHR 3077/4885FAAH 425/4885TRPV1 1454/4885
US-20080234174-A1 FURANOID AND PYRANOID C14-C18- OXABICYCLOALKANONES AS ODORIFEROUS AND/OR AROMA SUBSTANCES CYP19A1, OXER1, AKR1C4 TSHR 3618/4885FAAH 264/4885TRPV1 246/4885
US-12492356-B2 Oxa-sandalwood-type fragrance compounds FDFT1, FAAH2, ALDH1A1 TSHR 4763/4885FAAH 9/4885TRPV1 253/4885
US-12551420-B2 1-alkoxyethyl-3-isobutyl-benzene and 1-carboxyethyl-3-isobutyl-benzene as aroma ingredients EBP, OR10J3, ADRA1D TSHR 3102/4885FAAH 727/4885TRPV1 392/4885
US-20090131299-A1 3-Methylbenzyl-Isobutyrate ABAT, GABRB3, GABBR1 TSHR 4422/4885FAAH 1410/4885TRPV1 1717/4885
US-20080015392-A1 Aldehydes substituted in alpha position by alkyl residues as odoriferous and aroma substances OR10J3, ALDH1A1, CRAT TSHR 3701/4885FAAH 233/4885TRPV1 544/4885
US-20250368600-A1 USE OF CYCLOHOMOGERANATE ESTERS AS AROMA CHEMICALS DECR1, TECR, AKR1C2 TSHR 1121/4885FAAH 3151/4885TRPV1 139/4885

“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.