SCHEMBL22190484

SCHEMBL22190484

CC(CCCCCC(=O)CCCCCC(C)C(=O)O)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.62
CYP1A2 P05177 1/20 0.54
ACE2 Q9BYF1 1/20 0.53
BLM P54132 1/20 0.52
GABRR1 P24046 2/20 0.48
MAPT P10636 1/20 0.45
KMT2A Q03164 1/20 0.45
TBXAS1 P24557 2/20 0.45
FFAR4 Q5NUL3 1/20 0.44
FFAR1 O14842 1/20 0.44
FAAH O00519 1/20 0.42
GSTK1 Q9Y2Q3 1/20 0.41

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
SCHEMBL6415461 0.92 ACE2 (0.67) LTA4HACE2MAPTKMT2AFFAR4
SCHEMBL7072060 0.92 ACE2 (0.67) LTA4HACE2MAPTKMT2AFFAR4
SCHEMBL8583479 0.92 ACE2 (0.67) LTA4HACE2MAPTKMT2AFFAR4
SCHEMBL22839180 0.90 CYP1A2 (0.59) LTA4HCYP1A2BLMMAPTKMT2A
SCHEMBL9001608 0.88 ACE2 (0.64) LTA4HCYP1A2ACE2BLMGABRR1
SCHEMBL5977939 0.88 ACE2 (0.64) LTA4HCYP1A2ACE2BLMGABRR1
SCHEMBL20612872 0.88 ACE2 (0.64) LTA4HCYP1A2ACE2BLMGABRR1
SCHEMBL31073666 0.88 ACE2 (0.64) LTA4HCYP1A2ACE2BLMGABRR1
SCHEMBL27726701 0.87 LTA4H (0.58) LTA4HCYP1A2ACE2BLMGABRR1
SCHEMBL2835395 0.86 CYP1A2 (0.67) LTA4HCYP1A2ACE2BLMKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220081385-A1 NOVEL SALTS AND POLYMORPHIC FORM OF BEMPEDOIC ACID LUPIN LIMITED (IN) 2022-03-17 US claimed
EP-3906231-A2 NOVEL SALTS AND POLYMORPHIC FORM OF BEMPEDOIC ACID Lupin Limited (IN) 2021-11-10 EP claimed
CN-113227061-A Novel salts and polymorphs of bipedac acid 印度鲁宾有限公司 2021-08-06 CN claimed
WO-2020141419-A2 NOVEL SALTS AND POLYMORPHIC FORM OF BEMPEDOIC ACID LUPIN LIMITED (IN) 2020-07-09 WO claimed
US-20220081385-A1 NOVEL SALTS AND POLYMORPHIC FORM OF BEMPEDOIC ACID LUPIN LIMITED (IN) 2022-03-17 US disclosed
EP-3906231-A2 NOVEL SALTS AND POLYMORPHIC FORM OF BEMPEDOIC ACID Lupin Limited (IN) 2021-11-10 EP disclosed
CN-113227061-A Novel salts and polymorphs of bipedac acid 印度鲁宾有限公司 2021-08-06 CN disclosed
WO-2020141419-A2 NOVEL SALTS AND POLYMORPHIC FORM OF BEMPEDOIC ACID LUPIN LIMITED (IN) 2020-07-09 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-20220081385-A1 NOVEL SALTS AND POLYMORPHIC FORM OF BEMPEDOIC ACID HADH, ALDH5A1, ACAD9 LTA4H 507/4885CYP1A2 168/4885ACE2 2918/4885

“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.