Octanedioate

Octanedioate

SCHEMBL3852958

O=C(O)CCC(=O)O.O=C(O)CCCCCCC(=O)O

nearest known ligand 0.92

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ADRB1CDK4CDK6CHRM2CHRM3DPP4DRD2DRD3DRD4EGFRHRH1HTR1BHTR1DHTR1FHTR2AHTR2CHTR4SLC6A2SLC6A4

The experimentally established mechanism targets of Octanedioate. 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
SLC6A2 known ✓ P23975 1/20 0.67
TSHR P16473 5/20 0.92
LMNA P02545 4/20 0.92
NFKB1 P19838 1/20 0.92
PMP22 Q01453 1/20 0.92
SLC22A6 Q4U2R8 2/20 0.71
GPR84 Q9NQS5 8/20 0.71
FFAR1 O14842 2/20 0.71
FFAR4 Q5NUL3 2/20 0.71
ALKBH5 Q6P6C2 1/20 0.69
SUCNR1 Q9BXA5 1/20 0.69
EGLN1 Q9GZT9 1/20 0.69
PPARG P37231 6/20 0.67
PPARD Q03181 6/20 0.67
PPARA Q07869 6/20 0.67
HDAC11 Q96DB2 5/20 0.67
ALDH1A1 P00352 3/20 0.67
TLR2 O60603 2/20 0.67
TDP1 Q9NUW8 2/20 0.67
MEN1 O00255 2/20 0.67

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
Pimelic Acid SCHEMBL100415 1.00 TSHR (0.92) TSHRLMNANFKB1PMP22SLC22A6
Sebacic Acid SCHEMBL20594219 1.00 TSHR (0.92) TSHRLMNANFKB1PMP22SLC22A6
Succinic Acid SCHEMBL28346539 1.00 TSHR (0.92) TSHRLMNANFKB1PMP22SLC22A6
Azelaic Acid SCHEMBL10456758 1.00 TSHR (0.92) TSHRLMNANFKB1PMP22SLC22A6
Sebacic Acid SCHEMBL8405057 1.00 TSHR (0.92) TSHRLMNANFKB1PMP22SLC22A6
Succinic Acid SCHEMBL28059863 1.00 TSHR (0.92) TSHRLMNANFKB1PMP22SLC22A6
Octanedioate SCHEMBL5800699 1.00 TSHR (0.92) TSHRLMNANFKB1PMP22SLC22A6
Octanedioate SCHEMBL28812368 0.96 TSHR (0.86) TSHRLMNANFKB1PMP22SLC22A6
Pimelic Acid SCHEMBL28069641 0.96 TSHR (0.86) TSHRLMNANFKB1PMP22SLC22A6
Octanedioate SCHEMBL28269347 0.96 TSHR (0.86) TSHRLMNANFKB1PMP22SLC22A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115701464-B Super-hydrophobic finishing agent and preparation method and application thereof 江苏金太阳纺织科技股份有限公司 2024-06-11 CN claimed
CN-115418148-A Organic reversible thermochromic exterior wall coating and preparation method thereof 中机铸材科技(福建)有限公司 2022-12-02 CN claimed
CN-113981713-A Method for dyeing real silk fabric by using natural dye 达利(中国)有限公司 2022-01-28 CN claimed
US-9725466-B2 Rifaximin derivative and uses thereof Salix Pharmaceuticals, Ltd (US) 2017-08-08 US claimed
US-20160257700-A1 RIFAXIMIN DERIVATIVE AND USES THEREOF BAUSCH HEALTH US, LLC 2016-09-08 US claimed
CN-117881401-A NLRP3 modulators 祖玛珍生物科学有限公司 2024-04-12 CN disclosed
CN-117858870-A Preparation of P2X3 antagonists 葛兰素史密斯克莱知识产权(第3号)有限公司 2024-04-09 CN disclosed
CN-117597345-A Heterocyclic derivatives as CaMKK2 inhibitors 百时美施贵宝公司 2024-02-23 CN disclosed
CN-113981713-B Method for dyeing real silk fabric by adopting natural dye 达利(中国)有限公司 2023-12-19 CN disclosed
CN-117241797-A Method for treating prostate cancer 百时美施贵宝公司 2023-12-15 CN disclosed
CN-111566089-B IRE1 small molecule inhibitors 康奈尔大学 2023-11-17 CN disclosed
CN-116472292-A Modified proteins and protein degrading agents 上海睿跃生物科技有限公司 2023-07-21 CN disclosed
US-5504104-A TREATING INFECTIONS OR DISEASES CAUSED BY RETROVIRUSES, SUCH AS HIV AND AIDS WARNER-LAMBERT COMPANY (US) 1996-04-02 US disclosed
WO-1996007648-A1 2-SUBSTITUTED-4H-3,1-BENZOXAZIN-4-ONES AND BENZTHIAZIN-4-ONES AS INHIBITORS OF COMPLEMENT Clr PROTEASE FOR THE TREATMENT OF INFLAMMATORY PROCESSES WARNER-LAMBERT COMPANY (US) 1996-03-14 WO disclosed
WO-1995014013-A1 PYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE, DAVIS & COMPANY (US) 1995-05-26 WO disclosed
WO-1995014012-A1 5,6-DIHYDROPYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE, DAVIS & COMPANY (US) 1995-05-26 WO disclosed
WO-1995014011-A2 5,6-DIHYDROPYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE, DAVIS & COMPANY (US) 1995-05-26 WO disclosed
WO-1995014014-A2 PYRONE DERIVATIVES AS PROTEASE INHIBITORS AND ANTIVIRAL AGENTS PARKE, DAVIS & COMPANY (US) 1995-05-26 WO disclosed
EP-0359796-A1 THERMOSETTING COMPOSITION FROM MALEIMIDE, OLEFINIC MONOMER AND UNSATURATED POLYESTER. ARISTECH CHEMICAL CORP (US) 1990-03-28 EP disclosed
WO-1989008670-A1 THERMOSETTING COMPOSITION FROM MALEIMIDE, OLEFINIC MONOMER AND UNSATURATED POLYESTER ARISTECH CHEMICAL CORPORATION (US) 1989-09-21 WO 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 (1 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-20160257700-A1 RIFAXIMIN DERIVATIVE AND USES THEREOF CUTA, SSB, MRPL21 SLC6A2 1390/4885TSHR 3262/4885LMNA 928/4885

“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.