SCHEMBL12340468

SCHEMBL12340468

CCc1c(C(C)C)cnn1-c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A3 Q92570 1/20 0.56
ALDH1A1 P00352 7/20 0.39
MAPT P10636 4/20 0.39
PPARG P37231 1/20 0.39
BLM P54132 1/20 0.39
NCOA2 Q15596 1/20 0.39
NCOA1 Q15788 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
RAB9A P51151 8/20 0.39
NPC1 O15118 6/20 0.39
HPGD P15428 4/20 0.39
TSHR P16473 2/20 0.39
ATM Q13315 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
HIF1A Q16665 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL4041244 0.89 NR4A3 (0.59) NR4A3ALDH1A1MAPTPPARGBLM
SCHEMBL12385631 0.87 NR4A3 (0.47) NR4A3ALDH1A1MAPTRAB9ALMNA
SCHEMBL27681018 0.83 NR4A3 (0.61) NR4A3ALDH1A1MAPTRAB9ANPC1
SCHEMBL27681019 0.83 NR4A3 (0.54) NR4A3ALDH1A1MAPTPPARGBLM
SCHEMBL12385658 0.78 RAB9A (0.42) NR4A3ALDH1A1MAPTRAB9ANPC1
SCHEMBL27660961 0.78 NR4A3 (0.58) NR4A3ALDH1A1MAPTRAB9ANPC1
SCHEMBL12338161 0.77 NR4A3 (0.66) NR4A3ALDH1A1MAPTPPARGBLM
SCHEMBL8251041 0.77 MAPK1 (0.51) MAPTRAB9ANPC1HPGDATM
SCHEMBL12316240 0.77 HIF1A (0.41) NR4A3ALDH1A1MAPTPPARGNCOA2
SCHEMBL18265951 0.77 NR4A3 (0.61) NR4A3ALDH1A1MAPTPPARGBLM

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8263648-B2 Diebenzofuran derivatives as inhibitors of PDE-4 and PDE-10 Mylan Laboratories Ltd. (IN) 2012-09-11 US disclosed
US-20090281131-A1 DIEBENZOFURAN DERIVATIVES AS INHIBITORS OF PDE-4 AND PDE-10 MYLAN LABORATORIES LIMITED (IN) 2009-11-12 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-20090281131-A1 DIEBENZOFURAN DERIVATIVES AS INHIBITORS OF PDE-4 AND PDE-10 PDE4A, PDE4B, PDE12 NR4A3 1151/4885ALDH1A1 234/4885MAPT 4290/4885

“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.