SCHEMBL5590725

SCHEMBL5590725

O=c1oc2cc(N(c3ccccc3)c3ccccc3)ccc2cc1-c1ccc(-c2cc3ccc(N(c4ccccc4)c4ccccc4)cc3oc2=O)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 8/20 0.58
NPC1 O15118 5/20 0.58
RAB9A P51151 6/20 0.58
KDM4E B2RXH2 5/20 0.58
ALDH1A1 P00352 4/20 0.58
MAOB P27338 1/20 0.58
CYP19A1 P11511 1/20 0.55
ESR2 Q92731 2/20 0.54
KMT2A Q03164 5/20 0.53
MEN1 O00255 4/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
MAPT P10636 2/20 0.53
USP2 O75604 1/20 0.53
LMNA P02545 1/20 0.53
HTT P42858 1/20 0.53
GAA P10253 2/20 0.52
HPGD P15428 2/20 0.52
NCOA1 Q15788 1/20 0.52
NCOA3 Q9Y6Q9 1/20 0.52
ESR1 P03372 1/20 0.52

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
SCHEMBL13870277 0.99 MIF (0.57) MIFNPC1RAB9AKDM4EALDH1A1
SCHEMBL13750220 0.94 MIF (0.59) MIFNPC1RAB9AKDM4EALDH1A1
SCHEMBL13750139 0.94 NPC1 (0.55) MIFNPC1RAB9AKDM4EALDH1A1
SCHEMBL4313697 0.92 NPC1 (0.56) MIFNPC1RAB9AKDM4EALDH1A1
SCHEMBL13749990 0.90 NPC1 (0.55) MIFNPC1RAB9AKDM4EALDH1A1
SCHEMBL13870232 0.90 CYP19A1 (0.73) NPC1RAB9AKDM4EALDH1A1MAOB
SCHEMBL13870265 0.88 CYP19A1 (0.71) NPC1RAB9AKDM4EALDH1A1MAOB
SCHEMBL13870260 0.88 CYP19A1 (0.71) NPC1RAB9AKDM4EALDH1A1MAOB
SCHEMBL13749914 0.88 NPC1 (0.50) MIFNPC1RAB9AKDM4EALDH1A1
SCHEMBL13749929 0.88 NPC1 (0.51) MIFNPC1RAB9AKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7569694-B2 Coumarin compound, material for light emitting device and organic electroluminescent device CHISSO CORPORATION (JP) 2009-08-04 US disclosed
US-7569694-B2 Coumarin compound, material for light emitting device and organic electroluminescent device CHISSO CORPORATION (JP) 2009-08-04 US disclosed
JP-2007204395-A COUMARIN-BASED COMPOUND, MATERIAL FOR LIGHT-EMITTING ELEMENT AND ORGANIC ELECTROLUMINESCENT ELEMENT CHISSO CORP 2007-08-16 JP disclosed
US-20070176544-A1 Coumarin compound, material for light emitting device and organic electroluminescent device JNC CORPORATION (JP) 2007-08-02 US disclosed
US-20070176544-A1 Coumarin compound, material for light emitting device and organic electroluminescent device JNC CORPORATION (JP) 2007-08-02 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-20070176544-A1 Coumarin compound, material for light emitting device and organic electroluminescent device TRPA1, CYP3A4, UGT1A10 MIF 1471/4885NPC1 342/4885RAB9A 4254/4885

“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.