Heptanoate

Heptanoate

SCHEMBL3410657

CCCCCCC(=O)O.CN(C)C

nearest known ligand 0.85

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 7/20 0.85
PPARG P37231 7/20 0.85
PPARD Q03181 7/20 0.85
PPARA Q07869 7/20 0.85
HDAC11 Q96DB2 5/20 0.85
TSHR P16473 4/20 0.85
PTPN1 P18031 3/20 0.85
FABP4 P15090 3/20 0.85
ALDH1A1 P00352 2/20 0.85
TLR2 O60603 2/20 0.85
TDP1 Q9NUW8 2/20 0.85
KMT2A Q03164 2/20 0.85
ALOX15 P16050 2/20 0.85
HSD17B10 Q99714 2/20 0.85
SLC22A6 Q4U2R8 1/20 0.85
SLC22A8 Q8TCC7 1/20 0.85
MEN1 O00255 1/20 0.85
ESR1 P03372 1/20 0.85
PDE4A P27815 1/20 0.85
PDE3A Q14432 1/20 0.85

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
Tridecanoate SCHEMBL27567556 1.00 GPR84 (0.85) GPR84PPARGPPARDPPARAHDAC11
Dodecanoate SCHEMBL1428943 1.00 GPR84 (0.85) GPR84PPARGPPARDPPARAHDAC11
Palmitic Acid SCHEMBL28150301 1.00 GPR84 (0.85) GPR84PPARGPPARDPPARAHDAC11
Decanoic Acid SCHEMBL5875428 1.00 GPR84 (0.85) GPR84PPARGPPARDPPARAHDAC11
Nonanoate SCHEMBL5875371 1.00 GPR84 (0.85) GPR84PPARGPPARDPPARAHDAC11
Undecanoate SCHEMBL21145073 1.00 GPR84 (0.85) GPR84PPARGPPARDPPARAHDAC11
Octanoic Acid SCHEMBL3412287 1.00 GPR84 (0.85) GPR84PPARGPPARDPPARAHDAC11
Stearic Acid SCHEMBL5875134 1.00 GPR84 (0.85) GPR84PPARGPPARDPPARAHDAC11
Behenic Acid SCHEMBL29086603 1.00 GPR84 (0.85) GPR84PPARGPPARDPPARAHDAC11
Stearic Acid SCHEMBL28427095 0.98 GPR84 (0.81) 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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2265617-B1 SOLVENTS BIONIQS LTD (GB) 2014-07-02 EP claimed
EP-2265617-A1 SOLVENTS Bioniqs Limited (GB) 2010-12-29 EP claimed
WO-2009034329-A1 SOLVENTS BIONIQS LIMITED (GB) 2009-03-19 WO claimed
US-20200179254-A1 IMPROVED CONDITIONING HAIR TREATMENT PRODUCT WITH WASHOUT PROTECTION HENKEL AG & CO. KGAA (DE) 2020-06-11 US disclosed
US-20190240129-A1 CONDITIONING HAIR TREATMENT PRODUCT WITH WASHOUT PROTECTION HENKEL AG & CO. KGAA (DE) 2019-08-08 US disclosed
US-20190216703-A1 IMPROVED CONDITIONING HAIR TREATMENT PRODUCT WITH WASHOUT PROTECTION HENKEL AG & CO. KGAA (DE) 2019-07-18 US disclosed
US-20190216714-A1 IMPROVED CONDITIONING HAIR TREATMENT PRODUCT WITH WASHOUT PROTECTION HENKEL AG & CO. KGAA (DE) 2019-07-18 US disclosed
CN-108270010-A A kind of anode material of lithium battery and conductive additive 镇江宜能新能源材料科技有限公司 2018-07-10 CN disclosed
CN-108232283-A A kind of lithium battery anode additive 镇江宜能新能源材料科技有限公司 2018-06-29 CN disclosed
EP-2265617-B1 SOLVENTS BIONIQS LTD (GB) 2014-07-02 EP disclosed
EP-2265617-A1 SOLVENTS Bioniqs Limited (GB) 2010-12-29 EP disclosed
WO-2009034329-A1 SOLVENTS BIONIQS LIMITED (GB) 2009-03-19 WO disclosed
US-7128976-B2 Composition for film formation, method of film formation, and silica-based film JSR CORPORATION (JP) 2006-10-31 US disclosed
US-20030091838-A1 Composition for film formation, method of film formation, and silica-based film JSR CORPORATION (JP) 2003-05-15 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-20190240129-A1 CONDITIONING HAIR TREATMENT PRODUCT WITH WASHOUT PROTECTION KRT18, CUTA, S100A10 GPR84 820/4885PPARG 1304/4885PPARD 1564/4885
US-20190216703-A1 IMPROVED CONDITIONING HAIR TREATMENT PRODUCT WITH WASHOUT PROTECTION KRT18, SRRM2, IK GPR84 1021/4885PPARG 965/4885PPARD 1180/4885
US-20190216714-A1 IMPROVED CONDITIONING HAIR TREATMENT PRODUCT WITH WASHOUT PROTECTION KRT18, CD44, PCNA GPR84 1071/4885PPARG 2195/4885PPARD 2918/4885
US-20200179254-A1 IMPROVED CONDITIONING HAIR TREATMENT PRODUCT WITH WASHOUT PROTECTION KRT18, CUTA, DSG1 GPR84 1347/4885PPARG 1377/4885PPARD 2055/4885

“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.