SCHEMBL23620741

SCHEMBL23620741

CCCCCCC(CC)n1ccc(=O)[nH]c1=O

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 9/20 0.42
ALDH1A1 P00352 1/20 0.41
CYP2C19 P33261 1/20 0.41
PKM P14618 2/20 0.39
CRBN Q96SW2 2/20 0.39
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL18479912 0.94 GPR84 (0.44) GPR84ALDH1A1CYP2C19PKMCRBN
SCHEMBL18475004 0.94 GPR84 (0.44) GPR84ALDH1A1CYP2C19PKMCRBN
SCHEMBL22327126 0.94 GPR84 (0.44) GPR84ALDH1A1CYP2C19PKMCRBN
SCHEMBL19187027 0.88 CRBN (0.43) GPR84ALDH1A1CYP2C19PKMCRBN
SCHEMBL24023212 0.86 PKM (0.42) GPR84ALDH1A1CYP2C19PKMCRBN
SCHEMBL23621035 0.84 ALDH1A1 (0.54) GPR84ALDH1A1CYP2C19PKMCRBN
SCHEMBL26550500 0.79 GPR84 (0.40) GPR84ALDH1A1CYP2C19PKMHTT
SCHEMBL24721804 0.76 CYP2C19 (0.41) GPR84ALDH1A1CYP2C19PKMHTT
SCHEMBL26804984 0.76 CYP2C19 (0.41) GPR84ALDH1A1CYP2C19PKMHTT
SCHEMBL4551699 0.76 PKM (0.41) GPR84ALDH1A1CYP2C19PKMCRBN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210205339-A1 CYCLIC PHOSPHATE SUBSTITUTED NUCLEOSIDE DERIVATIVES FOR THE TREATMENT OF LIVER DISEASES MSD INTERNATIONAL GMBH (CH) 2021-07-08 US 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-20210205339-A1 CYCLIC PHOSPHATE SUBSTITUTED NUCLEOSIDE DERIVATIVES FOR THE TREATMENT OF LIVER DISEASES SLC10A1, PNP, PYGL GPR84 1800/4885ALDH1A1 1448/4885CYP2C19 1031/4885

“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.