SCHEMBL18565606

SCHEMBL18565606

c1cc(-c2cc(-c3cccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)oc6ccccc67)ccc54)c3)nc(-c3ccc(-c4ccc(-n5c6ccccc6c6cc(-c7ccc8c(c7)oc7ccccc78)ccc65)cc4)cc3)n2)cc(-n2c3ccccc3c3cc(-c4ccc5c(c4)oc4ccccc45)ccc32)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.34
KDM4E B2RXH2 4/20 0.34
ATM Q13315 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PTGER4 P35408 2/20 0.32
MEN1 O00255 6/20 0.32
KMT2A Q03164 6/20 0.32
MAPT P10636 5/20 0.32
ALDH1A1 P00352 4/20 0.32
HPGD P15428 4/20 0.32
LMNA P02545 2/20 0.32
GLA P06280 1/20 0.32
MMP12 P39900 1/20 0.32
MMP13 P45452 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
PLA2G2A P14555 2/20 0.31
PLA2G4A P47712 2/20 0.31
AHR P35869 1/20 0.31
CHEK2 O96017 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
SCHEMBL18565610 0.99 HCRTR1 (0.35) HCRTR1KDM4EATML3MBTL1PTGER4
SCHEMBL18565607 0.98 MEN1 (0.34) HCRTR1KDM4EATML3MBTL1PTGER4
SCHEMBL18565605 0.98 HCRTR1 (0.34) HCRTR1KDM4EATML3MBTL1PTGER4
SCHEMBL18565604 0.97 HCRTR1 (0.35) HCRTR1KDM4EATML3MBTL1PTGER4
SCHEMBL18565603 0.96 KDM4E (0.35) HCRTR1KDM4EATML3MBTL1PTGER4
SCHEMBL16805637 0.95 MEN1 (0.36) HCRTR1KDM4EATML3MBTL1PTGER4
SCHEMBL18565555 0.95 HCRTR1 (0.35) HCRTR1KDM4EATML3MBTL1PTGER4
SCHEMBL21964941 0.95 MEN1 (0.37) HCRTR1KDM4EATML3MBTL1PTGER4
SCHEMBL18565633 0.95 CHEK2 (0.35) KDM4EATML3MBTL1PTGER4MEN1
SCHEMBL18565593 0.95 ATM (0.36) HCRTR1KDM4EATML3MBTL1PTGER4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10290815-B2 Composition, compound, material for organic electroluminescence element, ink composition, organic electroluminescence element, and electronic device IDEMITSU KOSAN CO., LTD. (JP) 2019-05-14 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
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 (2 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-10290815-B2 Composition, compound, material for organic electroluminescence element, ink composition, organic electroluminescence element, and electronic device EED, BMI1, CD99 HCRTR1 4165/4885KDM4E 225/4885ATM 3092/4885
US-20170062733-A1 COMPOSITION, COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE ELEMENT, INK COMPOSITION, ORGANIC ELECTROLUMINESCENCE ELEMENT, AND ELECTRONIC DEVICE EED, BMI1, CD99 HCRTR1 4165/4885KDM4E 225/4885ATM 3092/4885

“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.