SCHEMBL26503115

SCHEMBL26503115

CCc1ccc2c(c1)nnn2-c1ccc(OCC(C)C)c(C(C)C)c1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.39
RXRA P19793 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
HPGD P15428 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
TLR8 Q9NR97 1/20 0.30
NT5E P21589 1/20 0.30
GRIN1 Q05586 1/20 0.30
GRIN2B Q13224 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
SCHEMBL26502997 0.86 NPSR1 (0.38) NPSR1RXRAL3MBTL1KDM4ENPC1
SCHEMBL26117252 0.82 HCAR3 (0.41) NPSR1RXRAKDM4EHPGD
SCHEMBL29462127 0.82 HCAR3 (0.41) NPSR1RXRAKDM4EHPGD
SCHEMBL29462128 0.82 HCAR3 (0.50) RXRAHPGD
SCHEMBL26114008 0.82 HCAR3 (0.50) RXRAHPGD
SCHEMBL29462123 0.82 HCAR3 (0.50) RXRAHPGD
SCHEMBL26503099 0.82 ALDH1A1 (0.44) NPSR1RXRAHPGDALDH1A1
SCHEMBL2067352 0.64 MAPT (0.59) L3MBTL1KDM4ENPC1HPGDALDH1A1
SCHEMBL16082293 0.64 LMNA (0.56) ALDH1A1GAA
SCHEMBL22548327 0.64 ALDH1A1 (0.45) KDM4EALDH1A1GAA

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-20230322688-A1 THERAPEUTIC COMPOUNDS ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2023-10-12 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-20230322688-A1 THERAPEUTIC COMPOUNDS IL5, IL15, IL4 NPSR1 181/4885RXRA 1242/4885L3MBTL1 2205/4885

“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.