SCHEMBL24468017

SCHEMBL24468017

O=C(O)c1cc(F)ccc1OC1CC1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KEAP1 Q14145 1/20 0.47
▸ GRIK1 P39086 6/20 0.43
▸ GRIA2 P42262 4/20 0.43
▸ EPHX2 P34913 1/20 0.41
▸ SCD O00767 3/20 0.41
▸ PKM P14618 1/20 0.41
▸ PTGDR2 Q9Y5Y4 1/20 0.40
▸ FABP4 P15090 2/20 0.40
▸ FABP5 Q01469 2/20 0.40
▸ RBP4 P02753 1/20 0.40
▸ PDE4A P27815 1/20 0.40
▸ PDE4B Q07343 1/20 0.40
▸ PDE4C Q08493 1/20 0.40
▸ PDE4D Q08499 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
SCHEMBL31197237 0.87 GRIK1 (0.43) KEAP1GRIK1GRIA2EPHX2SCD
SCHEMBL31565679 0.85 PARP1 (0.42) KEAP1PDE4APDE4BPDE4CPDE4D
SCHEMBL29629559 0.83 PDE5A (0.44) EPHX2PDE4APDE4BPDE4CPDE4D
SCHEMBL24468016 0.83 PDE5A (0.44) EPHX2PDE4APDE4BPDE4CPDE4D
SCHEMBL4272731 0.80 KEAP1 (0.41) KEAP1GRIK1GRIA2EPHX2SCD
SCHEMBL4272734 0.80 KEAP1 (0.41) KEAP1GRIK1GRIA2EPHX2SCD
SCHEMBL929640 0.80 GRIK1 (0.62) GRIK1GRIA2
SCHEMBL20561976 0.79 EPHX2 (0.58) GRIK1GRIA2EPHX2
SCHEMBL29956766 0.78 GRIK1 (0.42) GRIK1GRIA2EPHX2PDE4APDE4B
SCHEMBL23611727 0.76 KEAP1 (0.50) KEAP1PKMPDE4APDE4BPDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220169645-A1 COMPOUNDS AS BRUTON TYROSINE KINASE INHIBITORS, PREPARATION METHODS AND MEDICAL APPLICATIONS THEREOF Eternity Bioscience Inc. 2022-06-02 — — US disclosed
US-20220169645-A1 COMPOUNDS AS BRUTON TYROSINE KINASE INHIBITORS, PREPARATION METHODS AND MEDICAL APPLICATIONS THEREOF Eternity Bioscience Inc. 2022-06-02 — — 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-20220169645-A1 COMPOUNDS AS BRUTON TYROSINE KINASE INHIBITORS, PREPARATION METHODS AND MEDICAL APPLICATIONS THEREOF BTK, LYN, LCK KEAP1 1962/4885GRIK1 776/4885GRIA2 1290/4885

“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.

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