SCHEMBL18565007

SCHEMBL18565007

CN(c1ccccc1)c1ccc(-c2ccc(-c3ccc4c5cc6ccccc6cc5n(-c5ccc6ccccc6c5)c4c3)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 1/20 0.38
MAPK10 P53779 6/20 0.36
MAPK9 P45984 5/20 0.36
MAPK8 P45983 1/20 0.34
ITK Q08881 1/20 0.32
OPRD1 P41143 1/20 0.32
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
KHK P50053 1/20 0.32
KDR P35968 1/20 0.32
CHKA P35790 1/20 0.32
HTR3A P46098 2/20 0.31
HTR3E A5X5Y0 1/20 0.31
HTR3B O95264 1/20 0.31
HTR5A P47898 1/20 0.31
HTR3D Q70Z44 1/20 0.31
HTR3C Q8WXA8 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
CHEK2 O96017 1/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL18564998 1.00 HTR1D (0.38) HTR1DMAPK10MAPK9MAPK8ITK
SCHEMBL18566261 0.93 HTR1D (0.36) HTR1DMAPK10MAPK9MAPK8ITK
SCHEMBL18565028 0.93 HTR1D (0.36) HTR1DMAPK10MAPK9MAPK8ITK
SCHEMBL18564997 0.93 KDM4E (0.37) HTR1DMAPK10MAPK9MAPK8ITK
SCHEMBL18565003 0.93 KDM4E (0.37) HTR1DMAPK10MAPK9MAPK8ITK
SCHEMBL18564768 0.93 KDM4E (0.34) HTR1DKHKKDRCHKACHEK2
SCHEMBL18564823 0.93 KDM4E (0.34) HTR1DKHKKDRCHKACHEK2
SCHEMBL18565001 0.92 ITK (0.37) MAPK10MAPK9MAPK8ITKKDR
SCHEMBL18564808 0.91 KDM4E (0.38) HTR1DKHKKDRCHKACHEK2
SCHEMBL18564744 0.91 KDM4E (0.38) HTR1DKHKKDRCHKACHEK2

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-20170062733-A1 COMPOSITION, COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE ELEMENT, INK COMPOSITION, ORGANIC ELECTROLUMINESCENCE ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2017-03-02 US disclosed
US-20170062733-A1 COMPOSITION, COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE ELEMENT, INK COMPOSITION, ORGANIC ELECTROLUMINESCENCE ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2017-03-02 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-20170062733-A1 COMPOSITION, COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE ELEMENT, INK COMPOSITION, ORGANIC ELECTROLUMINESCENCE ELEMENT, AND ELECTRONIC DEVICE EED, BMI1, CD99 HTR1D 2523/4885MAPK10 1564/4885MAPK9 436/4885

“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.