SCHEMBL26493973

SCHEMBL26493973

CCCCC(C)(CCC)CCN(C)C(=O)CCCCCCCC(C)(C)CC

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 2/20 0.40
▸ CNR1 P21554 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ KDM4C Q9H3R0 7/20 0.33
▸ KDM5A P29375 6/20 0.33
▸ PHF8 Q9UPP1 2/20 0.33
▸ KDM4A O75164 2/20 0.33
▸ ACHE P22303 4/20 0.33
▸ BCHE P06276 3/20 0.33
▸ ESR1 P03372 1/20 0.32
▸ ESR2 Q92731 1/20 0.32
▸ KDM5C P41229 1/20 0.31
▸ KDM5B Q9UGL1 1/20 0.31

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
SCHEMBL22021659 0.83 EPHX2 (0.39) EPHX2CNR1ALDH1A1KDM4CKDM5A
SCHEMBL22166526 0.82 EPHX2 (0.40) EPHX2CNR1ALDH1A1KDM4CKDM5A
SCHEMBL23639761 0.81 EPHX2 (0.48) EPHX2CNR1ALDH1A1KDM4CKDM5A
SCHEMBL20216159 0.77 ALDH1A1 (0.40) EPHX2CNR1ALDH1A1
SCHEMBL18743131 0.77 ALDH1A1 (0.35) EPHX2CNR1ALDH1A1
SCHEMBL21166472 0.76 ALDH1A1 (0.41) EPHX2CNR1ALDH1A1
SCHEMBL19176543 0.76 ALDH1A1 (0.41) EPHX2CNR1ALDH1A1
SCHEMBL12847912 0.75 EPHX2 (0.50) EPHX2CNR1ALDH1A1KDM4CKDM5A
SCHEMBL23639935 0.75 EPHX2 (0.34) EPHX2ACHEBCHE
SCHEMBL22166535 0.75 EPHX2 (0.53) EPHX2CNR1ALDH1A1KDM4CKDM5A

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-11642342-B2 Combinations of estrogen receptor degraders and cyclin-dependent kinase inhibitors for treating cancer Accutar Biotechnology (US) 2023-05-09 — — 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-11642342-B2 Combinations of estrogen receptor degraders and cyclin-dependent kinase inhibitors for treating cancer CDK3, CDK4, CDK1 EPHX2 1763/4885CNR1 844/4885ALDH1A1 4096/4885

“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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