SCHEMBL3864872

SCHEMBL3864872

C#CC[C@@H](CCCCCC)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 4/20 0.54
GRIK2 Q13002 4/20 0.54
CA2 P00918 2/20 0.52
MAPK1 P28482 1/20 0.52
SLC1A2 P43004 2/20 0.51
SLC1A1 P43005 2/20 0.51
GPR84 Q9NQS5 5/20 0.50
FFAR1 O14842 1/20 0.50
MAPT P10636 1/20 0.48
LCK P06239 1/20 0.48
PPARD Q03181 1/20 0.48
ZDHHC20 Q5W0Z9 1/20 0.48
ZDHHC2 Q9UIJ5 1/20 0.48
ACE2 Q9BYF1 1/20 0.46
SLC1A3 P43003 1/20 0.44
CHRM1 P11229 1/20 0.43
AKR1A1 P14550 1/20 0.43
CHRM3 P20309 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43

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
SCHEMBL3857718 1.00 GRIK1 (0.54) GRIK1GRIK2CA2MAPK1SLC1A2
SCHEMBL3785993 1.00 GRIK1 (0.54) GRIK1GRIK2CA2MAPK1SLC1A2
SCHEMBL7550232 1.00 GRIK1 (0.54) GRIK1GRIK2CA2MAPK1SLC1A2
SCHEMBL7552503 1.00 GRIK1 (0.54) GRIK1GRIK2CA2MAPK1SLC1A2
SCHEMBL19306557 0.98 CA2 (0.53) GRIK1GRIK2CA2MAPK1SLC1A2
SCHEMBL7552288 0.98 CA2 (0.53) GRIK1GRIK2CA2MAPK1SLC1A2
SCHEMBL3839934 0.98 CA2 (0.53) GRIK1GRIK2CA2MAPK1SLC1A2
SCHEMBL7551496 0.92 CA2 (0.61) GRIK1GRIK2CA2MAPK1SLC1A2
SCHEMBL6271522 0.85 CA2 (0.47) GRIK1GRIK2CA2SLC1A2SLC1A1
SCHEMBL7557794 0.84 CHRM1 (0.62) GRIK1GRIK2CA2MAPK1SLC1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020156320-A1 Enantioselective synthesis of valproic acid analogues NAU HEINZ (DE) 2002-10-24 US claimed
US-20220175776-A1 COMBINATION OF CHIR99021 AND VALPROIC ACID FOR TREATING HEARING LOSS Frequency Therapeutics, Inc. (US) 2022-06-09 US disclosed
CN-114340611-A Combination of CHIR99021 and valproic acid for the treatment of hearing loss 频率医疗公司 2022-04-12 CN disclosed
US-11260130-B2 Solubilized compositions for controlled proliferation of stem cells / generating inner ear hair cells using a GSK3 inhibitor: IV Frequency Therapeutics, Inc. (US) 2022-03-01 US disclosed
EP-3952854-A1 COMBINATION OF CHIR99021 AND VALPROIC ACID FOR TREATING HEARING LOSS Frequency Therapeutics, Inc. (US) 2022-02-16 EP disclosed
US-20210300948-A1 1H-PYRROLE-2,5-DIONE COMPOUNDS AND METHODS OF USING THEM TO INDUCE SELF-RENEWAL OF STEM/PROGENITOR SUPPORTING CELLS Frequency Therapeutics, Inc. 2021-09-30 US disclosed
US-11066419-B2 1H-pyrrole-2,5-dione compounds and methods of using same Frequency Therapeutics, Inc. (US) 2021-07-20 US disclosed
US-11033546-B2 Solubilized compositions for controlled proliferation of stem cells / generating inner ear hair cells using a GSK3 inhibitor: I Frequency Therapeutics, Inc. (US) 2021-06-15 US disclosed
WO-2020210388-A1 COMBINATION OF CHIR99021 AND VALPROIC ACID FOR TREATING HEARING LOSS Frequency Therapeutics, Inc. (US) 2020-10-15 WO disclosed
US-20200316089-A1 1,2-DIHYDRO-3H-PYRAZOL-3-ONE COMPOUNDS AND METHODS OF USING SAME Frequency Therapeutics, Inc. 2020-10-08 US disclosed
US-7589221-B2 Industrial scale process; treats neurodegenerative diseases; high optical purity; less dangerous reaction ONO PHARMACEUTICAL CO., LTD. (JP) 2009-09-15 US disclosed
US-20070043114-A1 Nerve regeneration promoters ONO PHARMACEUTICAL CO., LTD. (JP) 2007-02-22 US disclosed
EP-1685832-A1 NERVE REGENERATION PROMOTERS ONO PHARMACEUTICAL CO., LTD. (JP) 2006-08-02 EP disclosed
US-20060135802-A1 Process for producing (2r)-2-propyloctanoic acid and intermediate therefor ONO PHARMACEUTICAL CO., LTD. (JP) 2006-06-22 US disclosed
EP-1078921-B1 NOVEL INTERMEDIATES AND PROCESSES FOR THE PREPARATION OF OPTICALLY ACTIVE OCTANOIC ACID DERIVATIVES ONO PHARMACEUTICAL CO (JP) 2003-03-26 EP disclosed
US-20020156320-A1 Enantioselective synthesis of valproic acid analogues NAU HEINZ (DE) 2002-10-24 US disclosed
US-6392073-B1 IMPROVED OPTICAL PURITY OVER RECRYSTALLIZATION METHOD; 2.10 CAMPHORSULTAM DERIVATIVE ONO PHARMACEUTICAL CO., LTD. (JP) 2002-05-21 US disclosed
US-20020028947-A1 Novel intermediates and processes for the preparation of optically active octanoic acid derivatives ONO PHARMACEUTICAL CO., LTD. 2002-03-07 US disclosed
US-6333415-B1 N-(2S-(2-(PROPENYL OR PROPYNYL OR PROPYL)) OCTANOYL) (1S)-(-)-2,10-CAMPHORSULTAM, TO PREPARE 2S-(2-(PROPENYL OR PROPYNYL OR PROPYL)) OCTANOIC ACID, ONO PHARMACEUTICAL CO., LTD. (JP) 2001-12-25 US disclosed
EP-1078921-A1 NOVEL INTERMEDIATES AND PROCESSES FOR THE PREPARATION OF OPTICALLY ACTIVE OCTANOIC ACID DERIVATIVES ONO PHARMACEUTICAL CO., LTD. (JP) 2001-02-28 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 (10 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-20070043114-A1 Nerve regeneration promoters BDNF, NGF, GAP43 GRIK1 1591/4885GRIK2 1779/4885CA2 4138/4885
US-20020156320-A1 Enantioselective synthesis of valproic acid analogues COASY, ACADM, CYP2A6 GRIK1 668/4885GRIK2 452/4885CA2 460/4885
US-20020028947-A1 Novel intermediates and processes for the preparation of optically active octanoic acid derivatives PDE6H, PDE6C, PDE6D GRIK1 880/4885GRIK2 627/4885CA2 1578/4885
US-20210300948-A1 1H-PYRROLE-2,5-DIONE COMPOUNDS AND METHODS OF USING THEM TO INDUCE SELF-RENEWAL OF STEM/PROGENITOR SUPPORTING CELLS MCL1, PROX1, MKI67 GRIK1 3223/4885GRIK2 3098/4885CA2 4491/4885
US-20200316089-A1 1,2-DIHYDRO-3H-PYRAZOL-3-ONE COMPOUNDS AND METHODS OF USING SAME DCX, MCL1, MKI67 GRIK1 1547/4885GRIK2 1977/4885CA2 4492/4885
US-20220175776-A1 COMBINATION OF CHIR99021 AND VALPROIC ACID FOR TREATING HEARING LOSS HES1, SHH, HDAC11 GRIK1 157/4885GRIK2 286/4885CA2 425/4885
US-11033546-B2 Solubilized compositions for controlled proliferation of stem cells / generating inner ear hair cells using a GSK3 inhibitor: I GSK3B, GSK3A, GSKIP GRIK1 2378/4885GRIK2 2732/4885CA2 1639/4885
US-11066419-B2 1H-pyrrole-2,5-dione compounds and methods of using same MKI67, PROX1, DCX GRIK1 3429/4885GRIK2 3099/4885CA2 4161/4885
US-20060135802-A1 Process for producing (2r)-2-propyloctanoic acid and intermediate therefor CYP51A1, POR, GRHPR GRIK1 1627/4885GRIK2 1239/4885CA2 723/4885
US-11260130-B2 Solubilized compositions for controlled proliferation of stem cells / generating inner ear hair cells using a GSK3 inhibitor: IV GSK3B, GSK3A, GSKIP GRIK1 2770/4885GRIK2 2882/4885CA2 1649/4885

“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.