SCHEMBL22021691

SCHEMBL22021691

CCCCCC(=O)N(C)CCC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 2/20 0.50
▸ CNR1 P21554 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.45
▸ KDM5A P29375 5/20 0.42
▸ KDM4C Q9H3R0 3/20 0.42
▸ KDM5C P41229 1/20 0.42
▸ KDM5B Q9UGL1 1/20 0.42
▸ PHF8 Q9UPP1 1/20 0.41
▸ CES2 O00748 4/20 0.40
▸ CES1 P23141 4/20 0.40
▸ AKR1B1 P15121 1/20 0.39
▸ DNM1 Q05193 2/20 0.39
▸ ESR1 P03372 1/20 0.39
▸ ESR2 Q92731 1/20 0.39

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
SCHEMBL22166535 0.98 EPHX2 (0.53) EPHX2CNR1ALDH1A1KDM5AKDM4C
SCHEMBL22166531 0.98 EPHX2 (0.53) EPHX2CNR1ALDH1A1KDM5AKDM4C
SCHEMBL22021680 0.87 EPHX2 (0.41) EPHX2KDM5AKDM4CPHF8
SCHEMBL22021658 0.87 EPHX2 (0.41) EPHX2KDM5AKDM4CPHF8
SCHEMBL22021685 0.87 EPHX2 (0.41) EPHX2KDM5AKDM4CPHF8
SCHEMBL22021679 0.86 EPHX2 (0.36) EPHX2CNR1ALDH1A1KDM5AKDM4C
SCHEMBL21376559 0.86 EPHX2 (0.36) EPHX2CNR1ALDH1A1CES2CES1
SCHEMBL13964304 0.85 ALDH1A1 (0.50) EPHX2CNR1ALDH1A1KDM5AKDM4C
SCHEMBL21456131 0.84 CYP4F2 (0.42) EPHX2CNR1KDM5AKDM4CPHF8
SCHEMBL22021683 0.82 NAMPT (0.32) EPHX2CNR1

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-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 (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-20200157078-A1 NOVEL COMPOUNDS HAVING ESTROGEN RECEPTOR ALPHA DEGRADATION ACTIVITY AND USES THEREOF ESR2, ESRRG, ESR1 EPHX2 951/4885CNR1 495/4885ALDH1A1 350/4885

“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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