SCHEMBL4310097

SCHEMBL4310097

Cc1cnc2c(O)cccc2c1C.Cc1cnc2c(O)cccc2c1C.[MgH2]

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.59
CCR5 P51681 1/20 0.59
CCR8 P51685 1/20 0.59
ATP4A P20648 1/20 0.49
ATP4B P51164 1/20 0.49
HTT P42858 2/20 0.49
SLC6A2 P23975 1/20 0.49
KDM4E B2RXH2 6/20 0.47
LMNA P02545 3/20 0.43
MAPT P10636 3/20 0.43
TP53 P04637 1/20 0.43
TSHR P16473 1/20 0.43
ALOX12 P18054 1/20 0.43
TRPA1 O75762 1/20 0.42
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 5/20 0.41
KDM4A O75164 1/20 0.41
RAB9A P51151 1/20 0.41
EGLN1 Q9GZT9 1/20 0.41
HIF1AN Q9NWT6 1/20 0.41

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
SCHEMBL1715320 0.98 CCR1 (0.61) CCR1CCR5CCR8ATP4AATP4B
SCHEMBL4303286 0.96 CCR1 (0.59) CCR1CCR5CCR8ATP4AATP4B
SCHEMBL2431810 0.96 CCR1 (0.59) CCR1CCR5CCR8ATP4AATP4B
SCHEMBL4296866 0.96 CCR1 (0.59) CCR1CCR5CCR8ATP4AATP4B
SCHEMBL30284810 0.96 CCR1 (0.59) CCR1CCR5CCR8ATP4AATP4B
SCHEMBL28085917 0.96 CCR1 (0.59) CCR1CCR5CCR8ATP4AATP4B
SCHEMBL862479 0.80 CCR1 (0.68) CCR1CCR5CCR8KDM4ETSHR
SCHEMBL5669092 0.76 KDM4E (0.46) ATP4AATP4BHTTSLC6A2KDM4E
SCHEMBL16132489 0.76 CCR1 (0.61) CCR1CCR5CCR8L3MBTL1CYP1A2
SCHEMBL136654 0.75 CCR1 (1.00) CCR1CCR5CCR8HTTTSHR

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 CCR1 355/4885CCR5 1452/4885CCR8 1315/4885

“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.