SCHEMBL29848830

SCHEMBL29848830

O=C(O)c1nccc2c1CCC2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.47
NOS1 P29475 1/20 0.47
NOS2 P35228 1/20 0.47
KDM4E B2RXH2 3/20 0.46
ASPH Q12797 3/20 0.46
KDM8 Q8N371 3/20 0.46
ALDH1A1 P00352 3/20 0.44
CYP3A4 P08684 1/20 0.44
MAPT P10636 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
BLM P54132 1/20 0.44
AGER Q15109 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
LNPEP Q9UIQ6 2/20 0.41
HCAR2 Q8TDS4 2/20 0.41
RXRA P19793 6/20 0.39
RXRB P28702 5/20 0.39
RXRG P48443 4/20 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
SCHEMBL16651284 1.00 NOS3 (0.47) NOS3NOS1NOS2KDM4EASPH
SCHEMBL29189076 0.95 NOS3 (0.50) NOS3NOS1NOS2KDM4EASPH
SCHEMBL28191141 0.83 NOS3 (0.53) NOS3NOS1NOS2KDM4EASPH
SCHEMBL16418922 0.76 HCAR2 (0.42) KDM4EASPHKDM8ALDH1A1CYP3A4
SCHEMBL1336895 0.76 CD44 (0.40) KDM4EASPHKDM8ALDH1A1CYP3A4
SCHEMBL29850242 0.76 KDM4E (0.41) KDM4EASPHKDM8ALDH1A1CYP3A4
SCHEMBL31266729 0.76 BRD4 (0.45) NOS3NOS1NOS2KDM4EMAPT
SCHEMBL16650447 0.76 BRD4 (0.45) NOS3NOS1NOS2KDM4EMAPT
SCHEMBL20366365 0.74 NOS3 (0.43) NOS3NOS1NOS2KDM4EALDH1A1
SCHEMBL28328194 0.74 KDM4E (0.44) KDM4EASPHKDM8ALDH1A1CYP3A4

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-20220315601-A1 BROMODOMAIN INHIBITORS CELGENE QUANTICEL RESEARCH, INC. (US) 2022-10-06 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-20220315601-A1 BROMODOMAIN INHIBITORS BRD3, EP300, BRPF3 NOS3 3903/4885NOS1 4084/4885NOS2 4130/4885

“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.