SCHEMBL22177487

SCHEMBL22177487

c1ccc(-c2nc(-c3ccc4c5ccccc5c5ccccc5c4c3)nc(-c3cccc4oc5ccc(-c6nc7ccccc7n6-c6ccccc6)cc5c34)n2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.40
ESR2 Q92731 2/20 0.40
PTGER4 P35408 1/20 0.40
HDAC1 Q13547 3/20 0.39
HDAC8 Q9BY41 3/20 0.39
HDAC6 Q9UBN7 3/20 0.39
RECQL P46063 1/20 0.38
RPS6KB1 P23443 2/20 0.38
PRKACA P17612 1/20 0.38
GSK3B P49841 1/20 0.38
ROCK1 Q13464 1/20 0.38
GRIA1 P42261 1/20 0.35
CACNG8 Q8WXS5 1/20 0.35
CACNG2 Q9Y698 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
GAA P10253 2/20 0.35
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34

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
SCHEMBL22177469 0.96 ESR1 (0.41) ESR1ESR2PTGER4HDAC1HDAC8
SCHEMBL22177193 0.96 ESR1 (0.43) ESR1ESR2PTGER4HDAC1HDAC8
SCHEMBL22883913 0.96 ESR1 (0.43) ESR1ESR2PTGER4HDAC1HDAC8
SCHEMBL22177459 0.95 ESR1 (0.39) ESR1ESR2PTGER4HDAC1HDAC8
SCHEMBL27419901 0.95 ESR1 (0.41) ESR1ESR2PTGER4HDAC1HDAC8
SCHEMBL22177467 0.95 ESR1 (0.41) ESR1ESR2PTGER4HDAC1HDAC8
SCHEMBL22177486 0.95 ESR1 (0.42) ESR1ESR2PTGER4HDAC1HDAC8
SCHEMBL22177910 0.95 ESR1 (0.42) ESR1ESR2PTGER4HDAC1HDAC8
SCHEMBL22177340 0.94 ESR1 (0.40) ESR1ESR2PTGER4HDAC1HDAC8
SCHEMBL19502177 0.94 ESR1 (0.41) ESR1ESR2PTGER4HDAC1HDAC8

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-11518769-B2 Heterocyclic compounds and organic light emitting device using the same LG CHEM, LTD. (KR) 2022-12-06 US disclosed
US-20210020852-A1 ORGANIC LIGHT EMITTING DEVICE LG CHEM, LTD. (KR) 2021-01-21 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 ESR1 129/4885ESR2 540/4885PTGER4 1407/4885
US-11518769-B2 Heterocyclic compounds and organic light emitting device using the same CRY1, CYP1A1, CRY2 ESR1 109/4885ESR2 425/4885PTGER4 879/4885

“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.