SCHEMBL25849034

SCHEMBL25849034

CCCCCCCC(CCCCCC)n1nnc2cncnc21

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADA P00813 5/20 0.35
PDE2A O00408 3/20 0.33
CYP3A4 P08684 2/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
ALOX15 P16050 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TSHR P16473 1/20 0.33
HIF1A Q16665 1/20 0.33
LMNA P02545 1/20 0.33
BLM P54132 1/20 0.33
SLC9A1 P19634 2/20 0.33
FDPS P14324 1/20 0.33

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
SCHEMBL24983450 0.79 SLC9A1 (0.40) ADASLC9A1
SCHEMBL21311452 0.77 FDPS (0.41) ADAPDE2ACYP3A4PDE4APDE4B
SCHEMBL25849033 0.77 FDPS (0.41) ADAPDE2ACYP3A4PDE4APDE4B
SCHEMBL18548741 0.75 ADA (0.50) ADAPDE2ACYP3A4PDE4APDE4B
SCHEMBL21755899 0.75 ADA (0.50) ADAPDE2ACYP3A4PDE4APDE4B
SCHEMBL11772583 0.73 SLC9A1 (0.50) ADACYP3A4ALDH1A1CYP1A2HSD17B10
SCHEMBL29782897 0.72 ADA (0.40) ADAPDE2ACYP3A4PDE4APDE4B
SCHEMBL21311179 0.71 SLC9A1 (0.57) SLC9A1
SCHEMBL25849028 0.71 SLC9A1 (0.57) SLC9A1
SCHEMBL25826138 0.70 ADA (0.43) ADAPDE2ACYP3A4PDE4APDE4B

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-11708381-B2 Inhibitors of androgen receptor signaling XAVIER UNIVERSITY OF LOUISIANA (US) 2023-07-25 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-11708381-B2 Inhibitors of androgen receptor signaling AR, ESRRA, ESRRB ADA 3530/4885PDE2A 1581/4885CYP3A4 4500/4885

“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.