SCHEMBL7223532

SCHEMBL7223532

CCCCCCC(CC)C(=O)OCC(C)C

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.55
CA1 P00915 4/20 0.55
MAPK1 P28482 1/20 0.46
ZDHHC7 Q9NXF8 1/20 0.43
MAPT P10636 1/20 0.42
FAAH O00519 1/20 0.41
GRIK1 P39086 1/20 0.41
GRIK2 Q13002 1/20 0.41
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41
ACE2 Q9BYF1 1/20 0.41
GPR84 Q9NQS5 2/20 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
SCHEMBL28829179 1.00 CA2 (0.55) CA2CA1MAPK1ZDHHC7MAPT
SCHEMBL27478993 1.00 CA2 (0.55) CA2CA1MAPK1ZDHHC7MAPT
SCHEMBL18383513 0.93 CA2 (0.48) CA2CA1ZDHHC7MAPTFAAH
SCHEMBL6894718 0.93 CA2 (0.48) CA2CA1ZDHHC7MAPTFAAH
SCHEMBL333417 0.93 CA2 (0.63) CA2CA1MAPK1
SCHEMBL6893798 0.93 CA2 (0.48) CA2CA1ZDHHC7MAPTFAAH
SCHEMBL27557687 0.93 CA2 (0.48) CA2CA1ZDHHC7MAPTFAAH
SCHEMBL28845482 0.91 CA2 (0.47) CA2CA1ZDHHC7MAPTFAAH
Ammonia Solution, Strong SCHEMBL29163436 0.91 CA2 (0.47) CA2CA1ZDHHC7MAPTFAAH
SCHEMBL27520082 0.91 CA2 (0.61) CA2CA1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10450301-B2 Apoptosis signal-regulating kinase 1 inhibitors and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2019-10-22 US 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-10450301-B2 Apoptosis signal-regulating kinase 1 inhibitors and methods of use thereof BAD, AIFM1, BCL2 CA2 4216/4885CA1 3532/4885MAPK1 104/4885

“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.