SCHEMBL22178165

SCHEMBL22178165

c1ccc(-c2nc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)nc(-c3cccc4oc5c(-c6nc7ccccc7n6-c6ccccc6)cccc5c34)n2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 2/20 0.40
RECQL P46063 1/20 0.39
ESR1 P03372 3/20 0.36
ESR2 Q92731 3/20 0.36
HDAC1 Q13547 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
PRKACA P17612 1/20 0.34
RPS6KB1 P23443 1/20 0.34
GSK3B P49841 1/20 0.34
ROCK1 Q13464 1/20 0.34
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
KDM4E B2RXH2 3/20 0.32
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
GRIA1 P42261 1/20 0.32
CACNG8 Q8WXS5 1/20 0.32
CACNG2 Q9Y698 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL22178162 0.95 RECQL (0.39) PTGER4RECQLESR1ESR2HDAC1
SCHEMBL22178219 0.95 RECQL (0.40) PTGER4RECQLESR1ESR2HDAC1
SCHEMBL22178216 0.94 RECQL (0.41) PTGER4RECQLESR1ESR2HDAC1
SCHEMBL22177825 0.93 RECQL (0.40) PTGER4RECQLESR1ESR2HDAC1
SCHEMBL22178395 0.93 PTGER4 (0.42) PTGER4RECQLESR1ESR2HDAC1
SCHEMBL22177816 0.92 RECQL (0.39) PTGER4RECQLESR1ESR2HDAC1
SCHEMBL22178138 0.92 RECQL (0.40) PTGER4RECQLESR1ESR2HDAC1
SCHEMBL22177807 0.92 RECQL (0.43) PTGER4RECQLESR1ESR2HDAC1
SCHEMBL22178142 0.92 RECQL (0.43) PTGER4RECQLESR1ESR2HDAC1
SCHEMBL22177454 0.92 RECQL (0.45) PTGER4RECQLESR1ESR2HDAC1

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-11518769-B2 Heterocyclic compounds and organic light emitting device using the same LG CHEM, LTD. (KR) 2022-12-06 US disclosed
US-20200207754-A1 NOVEL HETEROCYCLIC COMPOUNDS AND ORGANIC LIGHT EMITTING DEVICE USING THE SAME LG CHEM, LTD. (KR) 2020-07-02 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-20200207754-A1 NOVEL HETEROCYCLIC COMPOUNDS AND ORGANIC LIGHT EMITTING DEVICE USING THE SAME CRY1, CRY2, CYP1A1 PTGER4 1407/4885RECQL 1528/4885ESR1 129/4885
US-11518769-B2 Heterocyclic compounds and organic light emitting device using the same CRY1, CYP1A1, CRY2 PTGER4 879/4885RECQL 1039/4885ESR1 109/4885

“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.