SCHEMBL22178222

SCHEMBL22178222

c1ccc(-c2ccc(-c3nc(-c4cccc5oc6c(-c7nc8ccccc8n7-c7ccccc7)cccc6c45)nc(-n4c5ccccc5c5ccccc54)n3)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.40
ESR1 P03372 3/20 0.37
ESR2 Q92731 3/20 0.37
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
PRKACA P17612 1/20 0.35
RPS6KB1 P23443 1/20 0.35
GSK3B P49841 1/20 0.35
ROCK1 Q13464 1/20 0.35
PTGER4 P35408 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HSP90AA1 P07900 1/20 0.33
MAPT P10636 1/20 0.33
GRIA1 P42261 1/20 0.33
CACNG8 Q8WXS5 1/20 0.33
CACNG2 Q9Y698 1/20 0.33

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
SCHEMBL22177386 0.98 RECQL (0.41) RECQLESR1ESR2MAPK1HTT
SCHEMBL22178142 0.95 RECQL (0.43) RECQLESR1ESR2MAPK1HTT
SCHEMBL22177807 0.95 RECQL (0.43) RECQLESR1ESR2MAPK1HTT
SCHEMBL22178216 0.94 RECQL (0.41) RECQLESR1ESR2MAPK1HTT
SCHEMBL22177454 0.93 RECQL (0.45) RECQLESR1ESR2MAPK1HTT
SCHEMBL22178138 0.92 RECQL (0.40) RECQLESR1ESR2MAPK1HTT
SCHEMBL22177923 0.92 RECQL (0.42) RECQLESR1ESR2MAPK1HTT
SCHEMBL22178165 0.91 PTGER4 (0.40) RECQLESR1ESR2MAPK1HTT
SCHEMBL22178219 0.91 RECQL (0.40) RECQLESR1ESR2MAPK1HTT
SCHEMBL22177824 0.91 RECQL (0.41) RECQLESR1ESR2MAPK1HTT

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 RECQL 1528/4885ESR1 129/4885ESR2 540/4885
US-11518769-B2 Heterocyclic compounds and organic light emitting device using the same CRY1, CYP1A1, CRY2 RECQL 1039/4885ESR1 109/4885ESR2 425/4885

“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.