SCHEMBL5331990

SCHEMBL5331990

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

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 7/20 0.52
FFAR1 O14842 2/20 0.52
MAPT P10636 1/20 0.50
LCK P06239 1/20 0.50
PPARD Q03181 1/20 0.50
ZDHHC20 Q5W0Z9 1/20 0.50
ZDHHC2 Q9UIJ5 1/20 0.50
ACE2 Q9BYF1 1/20 0.47
GRIK1 P39086 2/20 0.43
GRIK2 Q13002 2/20 0.43
FFAR4 Q5NUL3 1/20 0.43
SLC1A2 P43004 1/20 0.41
SLC1A1 P43005 1/20 0.41
HSPD1 P10809 1/20 0.40
BLM P54132 1/20 0.40
HSPE1 P61604 1/20 0.40
CA2 P00918 1/20 0.40

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
SCHEMBL5599848 1.00 GPR84 (0.52) GPR84FFAR1MAPTLCKPPARD
SCHEMBL3839930 0.98 GPR84 (0.48) GPR84FFAR1MAPTLCKPPARD
SCHEMBL7557797 0.98 GPR84 (0.48) GPR84FFAR1MAPTLCKPPARD
SCHEMBL10010696 0.84 CHRM1 (0.46) GPR84FFAR1MAPTLCKPPARD
SCHEMBL1713102 0.83 FFAR4 (0.46) GPR84FFAR1PPARDFFAR4
SCHEMBL10010150 0.81 SLC1A2 (0.36) GPR84FFAR1MAPTLCKPPARD
SCHEMBL4002470 0.80 MAPT (0.59) GPR84FFAR1MAPTLCKPPARD
SCHEMBL10923278 0.80 MAPT (0.59) GPR84FFAR1MAPTLCKPPARD
SCHEMBL970515 0.80 MAPT (0.59) GPR84FFAR1MAPTLCKPPARD
SCHEMBL527476 0.80 MAPT (0.59) GPR84FFAR1MAPTLCKPPARD

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2007039413-A CRYSTAL COMPOSED OF (2S)-2-PROPENYLOCTANOIC ACID OR (2S)-2-PROPYNYLOCTANOIC ACID AND AMINE ONO PHARMACEUT CO LTD 2007-02-15 JP 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-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 (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-20020028947-A1 Novel intermediates and processes for the preparation of optically active octanoic acid derivatives PDE6H, PDE6C, PDE6D GPR84 1650/4885FFAR1 16/4885MAPT 2340/4885

“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.