SCHEMBL22021900

SCHEMBL22021900

CN(CCC(C)(C)C)C(=O)CCCCCCCC(C)(C)CCC(C)(C)CCCC(C)(C)CCC(C)(C)CCCCC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 2/20 0.36
▸ FFAR1 O14842 1/20 0.35
▸ CPT2 P23786 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ ACHE P22303 8/20 0.34
▸ BCHE P06276 7/20 0.34
▸ CHRM2 P08172 1/20 0.32
▸ CHRM1 P11229 1/20 0.32
▸ KDM4A O75164 9/20 0.32
▸ KDM4C Q9H3R0 9/20 0.32
▸ KDM5A P29375 1/20 0.32
▸ KDM7A Q6ZMT4 1/20 0.32
▸ PHF8 Q9UPP1 1/20 0.32
▸ KDM2A Q9Y2K7 1/20 0.32

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
SCHEMBL22021680 0.92 EPHX2 (0.41) EPHX2ACHEBCHECHRM2CHRM1
SCHEMBL22021658 0.92 EPHX2 (0.41) EPHX2ACHEBCHECHRM2CHRM1
SCHEMBL22021685 0.92 EPHX2 (0.41) EPHX2ACHEBCHECHRM2CHRM1
SCHEMBL23639935 0.90 EPHX2 (0.34) EPHX2ACHEBCHE
SCHEMBL22021659 0.87 EPHX2 (0.39) EPHX2FFAR1CPT2TDP1ACHE
SCHEMBL22021679 0.84 EPHX2 (0.36) EPHX2ACHEBCHECHRM2CHRM1
SCHEMBL21456131 0.81 CYP4F2 (0.42) EPHX2FFAR1ACHEBCHECHRM2
SCHEMBL22166531 0.81 EPHX2 (0.53) EPHX2FFAR1TDP1KDM4CKDM5A
SCHEMBL22166535 0.81 EPHX2 (0.53) EPHX2FFAR1TDP1KDM4CKDM5A
SCHEMBL23639725 0.80 — —

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-20210213012-A1 COMBINATIONS OF ESTROGEN RECEPTOR DEGRADERS AND CYCLIN-DEPENDENT KINASE INHIBITORS FOR TREATING CANCER ACCUTAR BIOTECHNOLOGY INC. 2021-07-15 — — US disclosed
US-20200157078-A1 NOVEL COMPOUNDS HAVING ESTROGEN RECEPTOR ALPHA DEGRADATION ACTIVITY AND USES THEREOF ACCUTAR BIOTECHNOLOGY INC. (US) 2020-05-21 — — 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 (2 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-20210213012-A1 COMBINATIONS OF ESTROGEN RECEPTOR DEGRADERS AND CYCLIN-DEPENDENT KINASE INHIBITORS FOR TREATING CANCER CDK3, CDK4, CDK1 EPHX2 1763/4885FFAR1 2829/4885CPT2 4209/4885
US-20200157078-A1 NOVEL COMPOUNDS HAVING ESTROGEN RECEPTOR ALPHA DEGRADATION ACTIVITY AND USES THEREOF ESR2, ESRRG, ESR1 EPHX2 951/4885FFAR1 320/4885CPT2 3477/4885

“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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