SCHEMBL22021659

SCHEMBL22021659

CCC(C)(C)CCCCCCCC(=O)N(C)CCC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 2/20 0.39
▸ ACHE P22303 11/20 0.37
▸ BCHE P06276 10/20 0.37
▸ FFAR1 O14842 1/20 0.35
▸ CPT2 P23786 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ CNR1 P21554 1/20 0.33
▸ CYP4F2 P78329 1/20 0.33
▸ CYP4A11 Q02928 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ ESR1 P03372 1/20 0.32
▸ ESR2 Q92731 1/20 0.32
▸ CHRM2 P08172 1/20 0.32
▸ CHRM1 P11229 1/20 0.32
▸ KDM5A P29375 2/20 0.32
▸ KDM4C Q9H3R0 2/20 0.32
▸ PHF8 Q9UPP1 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
SCHEMBL22021658 0.88 EPHX2 (0.41) EPHX2ACHEBCHECHRM2CHRM1
SCHEMBL22021680 0.88 EPHX2 (0.41) EPHX2ACHEBCHECHRM2CHRM1
SCHEMBL22021685 0.88 EPHX2 (0.41) EPHX2ACHEBCHECHRM2CHRM1
SCHEMBL22021900 0.87 EPHX2 (0.36) EPHX2ACHEBCHEFFAR1CPT2
SCHEMBL22166535 0.85 EPHX2 (0.53) EPHX2FFAR1TDP1CNR1ALDH1A1
SCHEMBL22166531 0.85 EPHX2 (0.53) EPHX2FFAR1TDP1CNR1ALDH1A1
SCHEMBL23639935 0.84 EPHX2 (0.34) EPHX2ACHEBCHE
SCHEMBL22166526 0.83 EPHX2 (0.40) EPHX2ACHEBCHECNR1ALDH1A1
SCHEMBL22021691 0.83 EPHX2 (0.50) EPHX2CNR1ALDH1A1ESR1ESR2
SCHEMBL26493973 0.83 EPHX2 (0.40) EPHX2ACHEBCHECNR1ALDH1A1

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-11117885-B2 Compounds having estrogen receptor alpha degradation activity and uses thereof ACCUTAR BIOTECHNOLOGY INC. (US) 2021-09-14 — — US disclosed
US-20200299264-A1 COMPOUNDS HAVING ESTROGEN RECEPTOR ALPHA DEGRADATION ACTIVITY AND USES THEREOF ACCUTAR BIOTECHNOLOGY INC. (US) 2020-09-24 — — 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 (3 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-11117885-B2 Compounds having estrogen receptor alpha degradation activity and uses thereof ESR2, ESRRG, ESR1 EPHX2 896/4885ACHE 1667/4885BCHE 1192/4885
US-20200157078-A1 NOVEL COMPOUNDS HAVING ESTROGEN RECEPTOR ALPHA DEGRADATION ACTIVITY AND USES THEREOF ESR2, ESRRG, ESR1 EPHX2 951/4885ACHE 2330/4885BCHE 1505/4885
US-20200299264-A1 COMPOUNDS HAVING ESTROGEN RECEPTOR ALPHA DEGRADATION ACTIVITY AND USES THEREOF ESR2, ESRRG, ESR1 EPHX2 896/4885ACHE 1667/4885BCHE 1192/4885

“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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