Dodecanoate

Dodecanoate

SCHEMBL8469342

CCCCCCCCCCCC(=O)O.CCNCC

nearest known ligand 0.77

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

CCKAR

The experimentally established mechanism targets of Dodecanoate. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 7/20 0.77
PPARG P37231 7/20 0.77
PPARD Q03181 7/20 0.77
PPARA Q07869 7/20 0.77
HDAC11 Q96DB2 5/20 0.77
TSHR P16473 4/20 0.77
PTPN1 P18031 3/20 0.77
FABP4 P15090 3/20 0.77
ALDH1A1 P00352 2/20 0.77
TLR2 O60603 2/20 0.77
TDP1 Q9NUW8 2/20 0.77
KMT2A Q03164 2/20 0.77
ALOX15 P16050 2/20 0.77
HSD17B10 Q99714 2/20 0.77
SLC22A6 Q4U2R8 1/20 0.77
SLC22A8 Q8TCC7 1/20 0.77
MEN1 O00255 1/20 0.77
ESR1 P03372 1/20 0.77
PDE4A P27815 1/20 0.77
PDE3A Q14432 1/20 0.77

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
Octanoic Acid SCHEMBL5183856 1.00 GPR84 (0.77) GPR84PPARGPPARDPPARAHDAC11
Nonanoate SCHEMBL5874969 1.00 GPR84 (0.77) GPR84PPARGPPARDPPARAHDAC11
Stearic Acid SCHEMBL557515 1.00 GPR84 (0.77) GPR84PPARGPPARDPPARAHDAC11
Decanoic Acid SCHEMBL4910739 1.00 GPR84 (0.77) GPR84PPARGPPARDPPARAHDAC11
Undecanoate SCHEMBL21145320 1.00 GPR84 (0.77) GPR84PPARGPPARDPPARAHDAC11
Palmitic Acid SCHEMBL10533983 1.00 GPR84 (0.77) GPR84PPARGPPARDPPARAHDAC11
Heptanoate SCHEMBL5874166 1.00 GPR84 (0.77) GPR84PPARGPPARDPPARAHDAC11
Hexanoate SCHEMBL5875370 0.98 AKR1B1 (0.76) GPR84PPARGPPARDPPARAHDAC11
Hexanoate SCHEMBL27885575 0.95 AKR1B1 (0.73) GPR84PPARGPPARDPPARAHDAC11
Hexanoate SCHEMBL27546331 0.93 AKR1B1 (0.70) 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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20190216714-A1 IMPROVED CONDITIONING HAIR TREATMENT PRODUCT WITH WASHOUT PROTECTION HENKEL AG & CO. KGAA (DE) 2019-07-18 US disclosed
US-20190216703-A1 IMPROVED CONDITIONING HAIR TREATMENT PRODUCT WITH WASHOUT PROTECTION HENKEL AG & CO. KGAA (DE) 2019-07-18 US disclosed
US-5942470-A OIL SOLUBLE SULFUR CONTAINING PRESSURE AND ANTI-WEAR AGENT, AMINE SALT OF PHOSPHORUS ESTER, SUCCINIMIDE, AND ASHLESS DISPERSANTS ETHYL PETROLEUM ADDITIVES, INC. (US) 1999-08-24 US disclosed
EP-0531585-B1 Oil additive concentrates and lubricants of enhanced performance capabilities ETHYL PETROLEUM ADDITIVES LTD (GB) 1998-11-04 EP disclosed
CN-1197638-A Amino acid derivatives and active oxygen-resistins agent AJINOMOTO KK (JP) 1998-11-04 CN disclosed
EP-0531000-B1 Oil additive concentrates and lubricants of enhanced performance capabilities ETHYL PETROLEUM ADDITIVES INC (US) 1997-02-05 EP disclosed
US-5464549-A Oil soluble dispersants suitable for use in fuels and lubricants ETHYL CORPORATION (US) 1995-11-07 US disclosed
EP-0459656-B1 Lubricant compositions ETHYL PETROLEUM ADDITIVES INC (US) 1995-09-20 EP disclosed
US-5358652-A Using 3,5-dihydrocarbyl-4-hydroxybenzylamine compound ETHYL PETROLEUM ADDITIVES, LIMITED (GB) 1994-10-25 US disclosed
EP-0428393-B1 GEAR OILS AND ADDITIVES THEREFOR ETHYL PETROLEUM ADDITIVES, INC. (US) 1993-10-06 EP disclosed
US-5241003-A Post-treated polyisobutenyl succinimide; crankcase, transmission oils ETHYL PETROLEUM ADDITIVES, INC. (US) 1993-08-31 US disclosed
EP-0531585-A1 Oil additive concentrates and lubricants of enhanced performance capabilities ETHYL PETROLEUM ADDITIVES LIMITED (GB) 1993-03-17 EP disclosed
EP-0531000-A1 Oil additive concentrates and lubricants of enhanced performance capabilities ETHYL PETROLEUM ADDITIVES, INC. (US) 1993-03-10 EP disclosed
US-5137980-A Reacting polyisobutene with aacidic reactant; super atmospheric pressure; low tar rating ETHYL PETROLEUM ADDITIVES, INC. (US) 1992-08-11 US disclosed
EP-0459656-A1 Lubricant compositions ETHYL PETROLEUM ADDITIVES, INC. (US) 1991-12-04 EP disclosed
EP-0430624-A1 Gear oils and additives therefor ETHYL PETROLEUM ADDITIVES, INC. (US) 1991-06-05 EP disclosed
EP-0428393-A1 Gear oils and additives therefor ETHYL PETROLEUM ADDITIVES, INC. (US) 1991-05-22 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 (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.