SCHEMBL25843255

SCHEMBL25843255

COc1cc(C(C)C)cc(CC(C)c2cc[n+](O)cc2)n1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
EDNRB P24530 1/20 0.32
EDNRA P25101 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
SCHEMBL20013700 0.74 CASR (0.33) EDNRBEDNRA
SCHEMBL13085751 0.74 ALDH1A1 (0.34) EDNRBEDNRA
SCHEMBL19998187 0.73 OGA (0.44)
SCHEMBL24985274 0.72 MAPT (0.39) EDNRBEDNRA
SCHEMBL18762866 0.71 CYP2D6 (0.36) EDNRBEDNRA
SCHEMBL13085699 0.69 ALDH1A1 (0.43) EDNRBEDNRA
SCHEMBL14318428 0.65 TYR (0.39)
SCHEMBL21646563 0.63 SMN1; SMN2 (0.35) EDNRBEDNRA
SCHEMBL30147946 0.63 SMN1; SMN2 (0.35) EDNRBEDNRA
SCHEMBL13085710 0.63 POLQ (0.39)

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-20230227426-A1 PHD INHIBITOR COMPOUNDS, COMPOSITIONS, AND USE AKEBIA THERAPEUTICS, INC. (US) 2023-07-20 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-20230227426-A1 PHD INHIBITOR COMPOUNDS, COMPOSITIONS, AND USE HIF1AN, EGLN3, PHF20 ESR1 4509/4885ESR2 3586/4885EDNRB 196/4885

“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.