SCHEMBL24822945

SCHEMBL24822945

Cc1cc2c(cc1Br)C(C)(C)OC2

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.33
CES1 P23141 1/20 0.33
ABCC9 O60706 1/20 0.31
KCNJ11 Q14654 1/20 0.31
BACE1 P56817 1/20 0.30

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
SCHEMBL31394613 0.93 ABCC9 (0.31) ABCC9KCNJ11
SCHEMBL24822914 0.84 HTT (0.32)
SCHEMBL24822912 0.78
SCHEMBL31394869 0.76 ABCC9 (0.38) ABCC9KCNJ11
SCHEMBL16172610 0.75 SLC5A1 (0.34)
SCHEMBL17193806 0.73 CYP3A4 (0.36)
SCHEMBL309789 0.73 KDM1A (0.36) BACE1
SCHEMBL6027545 0.73 RXRA (0.32) BCHECES1
SCHEMBL7843935 0.70 BCHE (0.37) BCHECES1
SCHEMBL18366143 0.69 RIPK1 (0.35) BACE1

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-20240287053-A1 COMPOUND, ENDOTHELIN-A RECEPTOR ANTAGONIST, AND PHARMACEUTICAL COMPOSITION ALCHEMEDICINE, INC. (JP) 2024-08-29 US disclosed
EP-4361146-A1 COMPOUND, ENDOTHELIN-A RECEPTOR ANTAGONIST, AND PHARMACEUTICAL COMPOSITION Alchemedicine, Inc. (JP) 2024-05-01 EP disclosed
WO-2022270487-A1 COMPOUND, ENDOTHELIN-A RECEPTOR ANTAGONIST, AND PHARMACEUTICAL COMPOSITION 株式会社アークメディスン 2022-12-29 WO 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-20240287053-A1 COMPOUND, ENDOTHELIN-A RECEPTOR ANTAGONIST, AND PHARMACEUTICAL COMPOSITION EDNRA, EDNRB, ECE1 BCHE 1770/4885CES1 2912/4885ABCC9 1054/4885

“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.