SCHEMBL18565602

SCHEMBL18565602

c1ccc2c(c1)oc1cc(-c3ccc4c(c3)c3ccccc3n4-c3ccc(-c4ccc(-c5cc(-c6ccc(-n7c8ccccc8c8cc(-c9ccc%10c(c9)oc9ccccc9%10)ccc87)cc6)nc(-c6ccc(-n7c8ccccc8c8cc(-c9ccc%10c(c9)oc9ccccc9%10)ccc87)cc6)n5)cc4)cc3)ccc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.35
KDM4E B2RXH2 3/20 0.35
ATM Q13315 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MMP12 P39900 1/20 0.34
MMP13 P45452 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
AHR P35869 2/20 0.34
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
MAPT P10636 3/20 0.33
ALDH1A1 P00352 3/20 0.33
HPGD P15428 3/20 0.33
NTSR1 P30989 1/20 0.33
PTGER4 P35408 2/20 0.33
CHEK2 O96017 1/20 0.33
HDAC4 P56524 1/20 0.32
PLA2G2A P14555 1/20 0.31
PLA2G4A P47712 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
SCHEMBL18565599 1.00 HCRTR1 (0.35) HCRTR1KDM4EATML3MBTL1MMP12
SCHEMBL18565600 0.99 KDM4E (0.36) HCRTR1KDM4EATML3MBTL1MMP12
SCHEMBL16805636 0.98 MAPT (0.37) HCRTR1KDM4EATML3MBTL1MMP12
SCHEMBL16805635 0.95 KDM4E (0.35) HCRTR1KDM4EATML3MBTL1MMP12
SCHEMBL18565624 0.94 CHEK2 (0.38) KDM4EATML3MBTL1NPC1RAB9A
SCHEMBL18565631 0.94 CHEK2 (0.38) KDM4EATML3MBTL1NPC1RAB9A
SCHEMBL18565627 0.94 CHEK2 (0.38) KDM4EATML3MBTL1NPC1RAB9A
SCHEMBL18565548 0.94 KDM4E (0.36) HCRTR1KDM4EATML3MBTL1MMP12
SCHEMBL16185717 0.94 MAPT (0.40) HCRTR1KDM4EATML3MBTL1MMP12
SCHEMBL16185692 0.94 MAPT (0.40) HCRTR1KDM4EATML3MBTL1MMP12

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 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.