SCHEMBL4546337

SCHEMBL4546337

CCc1ccc(OCCN)c(OC)c1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.56
ATM Q13315 1/20 0.56
PTGER3 P43115 1/20 0.49
CA2 P00918 1/20 0.48
CALM1 P0DP23 1/20 0.46
CYP19A1 P11511 1/20 0.45

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
SCHEMBL15765933 0.92 KDM4E (0.54) KDM4EATMCA2CALM1CYP19A1
SCHEMBL8107846 0.88 KDM4E (0.58) KDM4EATMPTGER3CA2
SCHEMBL23195552 0.86 DRD2 (0.52) KDM4EATMCA2CALM1
SCHEMBL13111718 0.86 CA2 (0.52) KDM4EATMCA2CALM1
SCHEMBL13634485 0.84 L3MBTL1 (0.50) KDM4EATMCA2CALM1
SCHEMBL5024579 0.84 MAPT (0.50) KDM4ECA2CALM1
SCHEMBL8373048 0.83 KCNH2 (0.53) KDM4ECA2CALM1
SCHEMBL2002631 0.83 CA2 (0.48) KDM4EATMCA2CALM1
SCHEMBL10459163 0.83 CA2 (0.48) KDM4EATMCA2CALM1
SCHEMBL89076 0.83 CA2 (0.48) KDM4EATMCA2CALM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8168827-B2 Amide derivative AJINOMOTO CO., INC. (JP) 2012-05-01 US disclosed
US-8168827-B2 Amide derivative AJINOMOTO CO., INC. (JP) 2012-05-01 US disclosed
US-20090258900-A1 AMIDE DERIVATIVE AJINOMOTO CO. INC (JP) 2009-10-15 US disclosed
US-20090258900-A1 AMIDE DERIVATIVE AJINOMOTO CO. INC (JP) 2009-10-15 US disclosed
US-7572815-B2 Amide derivative AJINOMOTO CO., INC. (JP) 2009-08-11 US disclosed
US-7572815-B2 Amide derivative AJINOMOTO CO., INC. (JP) 2009-08-11 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-20090258900-A1 AMIDE DERIVATIVE NR0B1, NR0B2, NR1I3 KDM4E 2426/4885ATM 3808/4885PTGER3 1388/4885

“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.