SCHEMBL4139801

SCHEMBL4139801

COC(=O)Cc1cccc(OCCN2CCNCC2)c1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.60
ALDH1A1 P00352 4/20 0.60
ROCK1 Q13464 5/20 0.56
SMN1; SMN2 Q16637 1/20 0.52
LTA4H P09960 2/20 0.51
EPHX2 P34913 2/20 0.51
ROCK2 O75116 1/20 0.51
CYP3A4 P08684 2/20 0.50
SIGMAR1 Q99720 1/20 0.48
DRD2 P14416 1/20 0.47
DRD3 P35462 1/20 0.47
GLS O94925 1/20 0.46
MAPT P10636 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
GAA P10253 1/20 0.46
KDM1A O60341 1/20 0.46

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
SCHEMBL12922895 0.86 GLS (0.61) KDM4EALDH1A1ROCK1SMN1; SMN2EPHX2
SCHEMBL13849595 0.83 KDM1A (0.55) KDM4EALDH1A1SMN1; SMN2LTA4HSIGMAR1
SCHEMBL13849609 0.82 ROCK1 (0.44) KDM4EALDH1A1ROCK1SMN1; SMN2EPHX2
SCHEMBL28588436 0.80 KMT2A (0.55) KDM4EALDH1A1ROCK1SMN1; SMN2ROCK2
Hydrochloric Acid SCHEMBL4576942 0.79 GLS (0.54) SIGMAR1GLS
SCHEMBL27354500 0.79 KDM4E (0.54) KDM4EALDH1A1ROCK1EPHX2ROCK2
SCHEMBL8785521 0.79 ALDH1A1 (0.61) KDM4EALDH1A1SMN1; SMN2LTA4HDRD2
SCHEMBL5231666 0.78 ALDH1A1 (0.65) KDM4EALDH1A1LTA4HEPHX2DRD2
SCHEMBL13865082 0.78 KDM4E (0.56) KDM4EALDH1A1ROCK1SMN1; SMN2LTA4H
SCHEMBL14025019 0.77 SIGMAR1 (0.48) SMN1; SMN2SIGMAR1GLS

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-20090118263-A1 Novel Adenine Compound DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2009-05-07 US disclosed
EP-1939202-A1 NOVEL ADENINE COMPOUND Dainippon Sumitomo Pharma Co., Ltd. (JP) 2008-07-02 EP 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-20090118263-A1 Novel Adenine Compound ADORA1, ADORA2A, ADORA3 KDM4E 2809/4885ALDH1A1 115/4885ROCK1 976/4885

“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.