SCHEMBL4292799

SCHEMBL4292799

CCCc1ccc(O)c2ncccc12.CCCc1ccc(O)c2ncccc12.CCCc1ccc(O)c2ncccc12.[Al]

nearest known ligand 0.97

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.68
NPC1 O15118 4/20 0.68
HTT P42858 4/20 0.68
L3MBTL1 Q9Y468 3/20 0.68
RAB9A P51151 3/20 0.68
LMNA P02545 1/20 0.68
GAA P10253 1/20 0.68
SMN1; SMN2 Q16637 1/20 0.68
BRD4 O60885 3/20 0.65
MITF O75030 1/20 0.65
ALOX12 P18054 1/20 0.63
NPSR1 Q6W5P4 1/20 0.63
PAX8 Q06710 1/20 0.59
IDO1 P14902 1/20 0.59
MAOA P21397 2/20 0.58
MAOB P27338 2/20 0.58
MAPT P10636 1/20 0.56
SLC6A2 P23975 1/20 0.56
COMT P21964 1/20 0.55

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
SCHEMBL10157041 0.98 KDM4E (0.70) KDM4ENPC1HTTL3MBTL1RAB9A
SCHEMBL16407906 0.89 KDM4E (0.66) KDM4ENPC1HTTL3MBTL1RAB9A
SCHEMBL11515706 0.88 KDM4E (0.64) KDM4ENPC1HTTL3MBTL1RAB9A
SCHEMBL11796771 0.86 KDM4E (0.62) KDM4ENPC1HTTL3MBTL1RAB9A
SCHEMBL114710 0.85 KDM4E (0.74) KDM4ENPC1HTTL3MBTL1RAB9A
SCHEMBL15854518 0.83 KDM4E (0.77) KDM4ENPC1HTTL3MBTL1RAB9A
SCHEMBL4564667 0.83 KDM4E (0.96) KDM4ENPC1HTTL3MBTL1RAB9A
SCHEMBL10157043 0.83 MAOA (0.71) KDM4ENPC1HTTL3MBTL1RAB9A
SCHEMBL10156363 0.82 KDM4E (0.70) KDM4ENPC1HTTL3MBTL1RAB9A
SCHEMBL10839031 0.82 KDM4E (0.70) KDM4ENPC1HTTL3MBTL1RAB9A

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-7514158-B2 Coumarin compound KABUSHIKI KAISHA HAYASHIBARA SEIBUTSU KAGAKU KENKYUJO (JP) 2009-04-07 US disclosed
US-20070018568-A1 Organic electroluminescent device KABUSHIKI KAISHA TOYOTA JIDOSHOKKI (JP) 2007-01-25 US disclosed
US-20060228577-A1 Organic electroluminescent device KABUSHIKI KAISHA TOYOTA JIDOSHOKKI (JP) 2006-10-12 US disclosed
US-20050275341-A1 Coumarin compound KABUSHIKI KAISHA HAYASHIBARA SEIBUTSU KAGAKU KENKYUJO (JP) 2005-12-15 US disclosed
EP-1599074-A1 ORGANIC ELECTROLUMINESCENT DEVICE Kabushiki Kaisha Toyota Jidoshokki (JP) 2005-11-23 EP disclosed
EP-1560469-A1 ORGANIC ELECTROLUMINESCENT DEVICE Kabushiki Kaisha Toyota Jidoshokki (JP) 2005-08-03 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-20050275341-A1 Coumarin compound XPO1, VKORC1, XPO5 KDM4E 3068/4885NPC1 367/4885HTT 4846/4885

“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.