SCHEMBL10332004

SCHEMBL10332004

CCc1ccc(N2CCOCC2)s1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.53
ALDH1A1 P00352 8/20 0.48
KDM4E B2RXH2 6/20 0.48
ALOX12 P18054 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
CASP1 P29466 1/20 0.48
CASP7 P55210 1/20 0.48
MAPT P10636 7/20 0.45
GAA P10253 4/20 0.45
THRB P10828 1/20 0.45
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
LMNA P02545 4/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
TP53 P04637 2/20 0.41
ALOX15 P16050 2/20 0.41
NPC1 O15118 1/20 0.41
PRKDC P78527 4/20 0.41
HPGD P15428 1/20 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
SCHEMBL24715766 0.85 ALDH1A1 (0.45) ARALDH1A1KDM4EALOX12NPSR1
SCHEMBL3127066 0.77 AR (0.49) ARALDH1A1KDM4EALOX12NPSR1
SCHEMBL7860579 0.77 AR (0.56) ARALDH1A1KDM4EALOX12NPSR1
SCHEMBL13680911 0.75 AR (0.46) ARALDH1A1KDM4EALOX12NPSR1
SCHEMBL14235300 0.74 HTT (0.51) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL12673462 0.73 CNR2 (0.51) ALDH1A1KDM4EMAPTGAAMEN1
SCHEMBL15034616 0.73 AR (0.51) ARALDH1A1KDM4EALOX12NPSR1
SCHEMBL10331336 0.73 PRKDC (0.62) ARALDH1A1KDM4EALOX12NPSR1
SCHEMBL21872946 0.72 AR (0.43) ARALDH1A1KDM4EALOX12NPSR1
SCHEMBL3127062 0.71 AR (0.50) ARALDH1A1KDM4EALOX12NPSR1

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-11771738-B2 Endoparasitic depsipeptides ZOETIS SERVICES LLC (US) 2023-10-03 US disclosed
US-8222247-B2 Modulators of glucocorticoid receptor, AP-1, and/or NF-kappabeta activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2012-07-17 US disclosed
US-20100004219-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-KAPPABETA ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY 2010-01-07 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 (2 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-20100004219-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-KAPPABETA ACTIVITY AND USE THEREOF NR3C1, NFRKB, RELA AR 162/4885ALDH1A1 4091/4885KDM4E 4032/4885
US-11771738-B2 Endoparasitic depsipeptides VIP, PREP, VIPR1 AR 4039/4885ALDH1A1 2109/4885KDM4E 4092/4885

“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.