SCHEMBL7218029

SCHEMBL7218029

CCCCCC(C)C(=O)OCC(C)C

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.53
ACE2 Q9BYF1 1/20 0.44
ZDHHC7 Q9NXF8 1/20 0.43
MAPT P10636 1/20 0.42
FAAH O00519 1/20 0.41
FDPS P14324 3/20 0.41
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41
TSHR P16473 3/20 0.40
ALDH1A1 P00352 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
FFAR1 O14842 1/20 0.40
GPR84 Q9NQS5 2/20 0.39

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
SCHEMBL22861599 0.98 CA1 (0.52) CA1ACE2ZDHHC7MAPTFAAH
SCHEMBL7217883 0.98 CA1 (0.52) CA1ACE2ZDHHC7MAPTFAAH
SCHEMBL7224114 0.94 CA1 (0.45) CA1ACE2MAPTFDPSTSHR
SCHEMBL3904364 0.85 TSHR (0.44) CA1MAPTFDPSTSHRALDH1A1
SCHEMBL23926545 0.85 PRSS1 (0.53) CA1ACE2ZDHHC7MAPTFAAH
SCHEMBL23926544 0.85 PRSS1 (0.53) CA1ACE2ZDHHC7MAPTFAAH
SCHEMBL23926555 0.85 PRSS1 (0.53) CA1ACE2ZDHHC7MAPTFAAH
SCHEMBL23926543 0.85 PRSS1 (0.53) CA1ACE2ZDHHC7MAPTFAAH
SCHEMBL23926542 0.85 PRSS1 (0.53) CA1ACE2ZDHHC7MAPTFAAH
SCHEMBL23926552 0.85 PRSS1 (0.53) CA1ACE2ZDHHC7MAPTFAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240067651-A1 PRODRUGS OF MYELOPEROXIDASE INHIBITORS BIOHAVEN THERAPEUTICS LTD. 2024-02-29 US disclosed
CN-114163437-A Substituted pyrazolo [1,5-A ] pyridine compounds as RET kinase inhibitors 阿雷生物药品公司 2022-03-11 CN disclosed
CN-110382494-B Substituted pyrazolo [1,5-A ] pyridine compounds as RET kinase inhibitors 阿雷生物药品公司 2021-11-16 CN disclosed
US-6667285-B1 Branched-chain carboxylic acid monoalkyl ester with outstanding hydrolytic stability NEW JAPAN CHEMICAL CO., LTD. (JP) 2003-12-23 US disclosed
EP-1225213-A1 LUBRICATING OIL FOR REFRIGERATOR, HYDRAULIC FLUID COMPOSITION FOR REFRIGERATOR AND METHOD FOR LUBRICATION OF REFRIGERATOR NEW JAPAN CHEMICAL CO.,LTD. (JP) 2002-07-24 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-20240067651-A1 PRODRUGS OF MYELOPEROXIDASE INHIBITORS MPO, CAT, SOD1 CA1 669/4885ACE2 668/4885ZDHHC7 873/4885

“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.