Heptane

Heptane

SCHEMBL3485862

CCCC(=O)O.CCCCCCC.CCN(CC)CC

nearest known ligand 0.62

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 7/20 0.62
PPARG P37231 7/20 0.62
PPARD Q03181 7/20 0.62
PPARA Q07869 7/20 0.62
HDAC11 Q96DB2 5/20 0.62
TSHR P16473 4/20 0.62
PTPN1 P18031 3/20 0.62
TDP1 Q9NUW8 3/20 0.62
ALDH1A1 P00352 2/20 0.62
TLR2 O60603 2/20 0.62
FABP4 P15090 2/20 0.62
KMT2A Q03164 2/20 0.62
ALOX15 P16050 2/20 0.62
HSD17B10 Q99714 2/20 0.62
SLC22A6 Q4U2R8 1/20 0.62
SLC22A8 Q8TCC7 1/20 0.62
MEN1 O00255 1/20 0.62
ESR1 P03372 1/20 0.62
PDE4A P27815 1/20 0.62
PDE3A Q14432 1/20 0.62

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
Butyric Acid SCHEMBL618898 0.98 FFAR3 (0.62) GPR84PPARGPPARDPPARAHDAC11
Butyric Acid SCHEMBL2818571 0.95 FFAR3 (0.59) GPR84PPARGPPARDPPARAHDAC11
Octanoic Acid SCHEMBL3414554 0.91 GPR84 (0.77) GPR84PPARGPPARDPPARAHDAC11
Decanoic Acid SCHEMBL5875269 0.91 GPR84 (0.77) GPR84PPARGPPARDPPARAHDAC11
Stearic Acid SCHEMBL557594 0.91 GPR84 (0.77) GPR84PPARGPPARDPPARAHDAC11
Heptanoate SCHEMBL3410001 0.91 GPR84 (0.77) GPR84PPARGPPARDPPARAHDAC11
Undecanoate SCHEMBL21145218 0.91 GPR84 (0.77) GPR84PPARGPPARDPPARAHDAC11
Octanoic Acid SCHEMBL3412884 0.91 GPR84 (0.77) GPR84PPARGPPARDPPARAHDAC11
Dodecanoate SCHEMBL8469515 0.91 GPR84 (0.77) GPR84PPARGPPARDPPARAHDAC11
Nonanoate SCHEMBL5874090 0.91 GPR84 (0.77) GPR84PPARGPPARDPPARAHDAC11

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140274903-A1 USE OF GALACTOSE OXIDASE FOR SELECTIVE CHEMICAL CONJUGATION OF PROTRACTOR MOLECULES TO PROTEINS OF THERAPEUTIC INTEREST NOVO NORDISK HEALTHCARE AG (CH) 2014-09-18 US disclosed
US-20100028939-A1 Use of Galactose Oxidase for Selective Chemical Conjugation of Protractor Molecules to Proteins of Therapeutic Interest NOVO NORDISK HEALTHCARE A/G (CH) 2010-02-04 US disclosed
US-20090240028-A1 Synthesis and Application of New Structural Well Defined Branched Polymers as Conjugating Agents for Peptides NOVO NORDISK A/S (DK) 2009-09-24 US disclosed
US-20060198819-A1 Use of galactose oxidase for selective chemical conjugation of protractor molecules to proteins of therapeutic interest NOVO NORDISK HEALTHCARE A/G (CH) 2006-09-07 US disclosed
US-20060182714-A1 Synthesis and application of new structural well defined branched polymers as conjugating agents for peptides NOVO NORDISK A/S (DK) 2006-08-17 US disclosed
EP-0672700-A1 PNA-synthesis using an aminoprotecting group which is labile against weak acids HOECHST AKTIENGESELLSCHAFT (DE) 1995-09-20 EP 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 (5 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-20060198819-A1 Use of galactose oxidase for selective chemical conjugation of protractor molecules to proteins of therapeutic interest GALE, GALNT2, GALNT1 GPR84 1050/4885PPARG 2292/4885PPARD 3117/4885
US-20060182714-A1 Synthesis and application of new structural well defined branched polymers as conjugating agents for peptides VIP, PTMS, PDGFA GPR84 2105/4885PPARG 4361/4885PPARD 4038/4885
US-20090240028-A1 Synthesis and Application of New Structural Well Defined Branched Polymers as Conjugating Agents for Peptides VIP, PTMS, PDGFA GPR84 2105/4885PPARG 4361/4885PPARD 4038/4885
US-20140274903-A1 USE OF GALACTOSE OXIDASE FOR SELECTIVE CHEMICAL CONJUGATION OF PROTRACTOR MOLECULES TO PROTEINS OF THERAPEUTIC INTEREST GALE, GALNT2, GALNT1 GPR84 1050/4885PPARG 2292/4885PPARD 3117/4885
US-20100028939-A1 Use of Galactose Oxidase for Selective Chemical Conjugation of Protractor Molecules to Proteins of Therapeutic Interest GALE, GALNT2, GALNT1 GPR84 1050/4885PPARG 2292/4885PPARD 3117/4885

“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.