Octanoic Acid

Octanoic Acid

SCHEMBL2805556

CCCCCCCC(=O)O.O=S(=O)(O)O

nearest known ligand 0.81

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

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

The experimentally established mechanism targets of Octanoic Acid. 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 0.81
PPARG P37231 7/20 0.81
PPARD Q03181 7/20 0.81
PPARA Q07869 7/20 0.81
HDAC11 Q96DB2 5/20 0.81
TSHR P16473 4/20 0.81
PTPN1 P18031 3/20 0.81
FABP4 P15090 3/20 0.81
ALDH1A1 P00352 2/20 0.81
TLR2 O60603 2/20 0.81
TDP1 Q9NUW8 2/20 0.81
KMT2A Q03164 2/20 0.81
ALOX15 P16050 2/20 0.81
HSD17B10 Q99714 2/20 0.81
SLC22A6 Q4U2R8 1/20 0.81
SLC22A8 Q8TCC7 1/20 0.81
MEN1 O00255 1/20 0.81
ESR1 P03372 1/20 0.81
PDE4A P27815 1/20 0.81
PDE3A Q14432 1/20 0.81

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
Stearic Acid SCHEMBL3846921 1.00 GPR84 (0.81) GPR84PPARGPPARDPPARAHDAC11
Dodecanoate SCHEMBL4163718 1.00 GPR84 (0.81) GPR84PPARGPPARDPPARAHDAC11
Myristic Acid SCHEMBL11877189 1.00 GPR84 (0.81) GPR84PPARGPPARDPPARAHDAC11
Hexacosanoic Acid SCHEMBL11757889 1.00 GPR84 (0.81) GPR84PPARGPPARDPPARAHDAC11
Palmitic Acid SCHEMBL11873354 1.00 GPR84 (0.81) GPR84PPARGPPARDPPARAHDAC11
Decanoic Acid SCHEMBL5159045 1.00 GPR84 (0.81) GPR84PPARGPPARDPPARAHDAC11
Heptanoate SCHEMBL2464651 1.00 GPR84 (0.81) GPR84PPARGPPARDPPARAHDAC11
Undecanoate SCHEMBL5303923 1.00 GPR84 (0.81) GPR84PPARGPPARDPPARAHDAC11
Dodecanoate SCHEMBL138673 0.98 GPR84 (0.77) GPR84PPARGPPARDPPARAHDAC11
Palmitic Acid SCHEMBL2459192 0.98 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 47 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110658338-A Portable mastitis pathogen MRSA detection method in lactation period 武汉大学 2020-01-07 CN claimed
US-20190262498-A1 BIOADHESIVE PLATFORM TO PERFORM BIOACTIVE TREATMENT FUNDACIÓ INSTITUT D'INVESTIGACIÓ EN CIÈNCIES DE LA SALUT GERMANS TRIAS I PUJOL (ES) 2019-08-29 US claimed
EP-3490527-A1 BIOADHESIVE PLATFORM TO PERFORM BIOACTIVE TREATMENT Fundació Institut d'Investigació en Ciències de la Salut Germans Trias i Pujol (ES) 2019-06-05 EP claimed
CN-109507435-A GRP78 albumen double crush syndrome method detection kit and its detection method 重庆医科大学 2019-03-22 CN claimed
CN-106831498-B Furacilin metabolite SEM derivatizations haptens, artificial antigen preparation method and applications 广州润坤生物科技有限公司 2018-10-30 CN claimed
CN-105503632-B It is a kind of to be provided commonly for detecting crystal violet and haptens, the preparation method and applications of artificial antigen of malachite green 广州润坤生物科技有限公司 2018-02-23 CN claimed
WO-2018019881-A1 BIOADHESIVE PLATFORM TO PERFORM BIOACTIVE TREATMENT FUNDACIÓ INSTITUT D'INVESTIGACIÓ EN CIÈNCIES DE LA SALUT GERMANS TRIAS I PUJOL (ES) 2018-02-01 WO claimed
CN-105738618-B A kind of Toxophasma gondii detecting kit 浙江大学 2017-09-29 CN claimed
CN-107118159-A Cistofuran metabolite AHD derivatizations haptens, the preparation method and applications of artificial antigen 广州润坤生物科技有限公司 2017-09-01 CN claimed
CN-106866568-A Furaxone metabolite AOZ derivatizations haptens, the preparation method and applications of artificial antigen 广州润坤生物科技有限公司 2017-06-20 CN claimed
CN-106831498-A Furacilin metabolite SEM derivatizations haptens, the preparation method and applications of artificial antigen 广州润坤生物科技有限公司 2017-06-13 CN claimed
CN-106496323-A A kind of cluster selectivity ochratoxin artificial antigen and its preparation method of broad spectrum activity polyclonal antibody 华南农业大学 2017-03-15 CN claimed
US-20100291191-A1 TUNABLE SUSTAINED RELEASE OF A SPARINGLY SOLUBLE HYDROPHOBIC THERAPEUTIC AGENT FROM A HYDROGEL MATRIX THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2010-11-18 US claimed
US-20100285113-A1 ENHANCED STABILITY OF INVERSE THERMAL GELLING COMPOSITE HYDROGELS THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2010-11-11 US claimed
US-20230312700-A1 TREATMENT OF A DISEASE OF THE GASTROINTESTINAL TRACT WITH A TNF INHIBITOR GLAS USA LLC 2023-10-05 US disclosed
EP-4232146-A1 METHODS OF TREATING AND PREDICTING NON-RESPONSE TO ANTI-TNF TREATMENT IN SUBJECTS WITH GASTROINTESTINAL TRACT DISEASES Biora Therapeutics, Inc. (US) 2023-08-30 EP disclosed
US-20230041197-A1 TREATMENT OF A DISEASE OF THE GASTROINTESTINAL TRACT WITH AN IMMUNOMODULATOR GLAS USA LLC 2023-02-09 US disclosed
US-9205047-B2 Tunable sustained release of a sparingly soluble hydrophobic therapeutic agent from a hydrogel matrix THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2015-12-08 US disclosed
US-20100291191-A1 TUNABLE SUSTAINED RELEASE OF A SPARINGLY SOLUBLE HYDROPHOBIC THERAPEUTIC AGENT FROM A HYDROGEL MATRIX THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2010-11-18 US disclosed
US-20100285113-A1 ENHANCED STABILITY OF INVERSE THERMAL GELLING COMPOSITE HYDROGELS THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2010-11-11 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 (2 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-20230041197-A1 TREATMENT OF A DISEASE OF THE GASTROINTESTINAL TRACT WITH AN IMMUNOMODULATOR FABP2, IL2, TSLP GPR84 2373/4885PPARG 563/4885PPARD 1148/4885
US-20230312700-A1 TREATMENT OF A DISEASE OF THE GASTROINTESTINAL TRACT WITH A TNF INHIBITOR TNF, TNFRSF1A, FABP2 GPR84 2635/4885PPARG 2779/4885PPARD 3103/4885

“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.