SCHEMBL17405252

SCHEMBL17405252

c1ccc(-n2c(-c3cccc(-n4c5ccccc5c5c6c7ccccc7oc6c6c(c7ccccc7n6-c6ccccc6)c54)c3)nc3ccccc32)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42
HDAC1 Q13547 2/20 0.41
HDAC8 Q9BY41 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
GAA P10253 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
RPS6KB1 P23443 2/20 0.37
PRKACA P17612 1/20 0.37
GSK3B P49841 1/20 0.37
ROCK1 Q13464 1/20 0.37
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
RXFP1 Q9HBX9 2/20 0.36
PTGER4 P35408 1/20 0.36
RECQL P46063 1/20 0.35
ALDH1A1 P00352 3/20 0.35
LMNA P02545 2/20 0.35
PPARG P37231 1/20 0.35

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
SCHEMBL17405306 0.96 ESR1 (0.45) ESR1ESR2HDAC1HDAC8HDAC6
SCHEMBL17405297 0.93 ESR1 (0.50) ESR1ESR2HDAC1HDAC8HDAC6
SCHEMBL17405288 0.91 ESR1 (0.43) ESR1ESR2HDAC1HDAC8HDAC6
SCHEMBL17405282 0.91 ESR1 (0.47) ESR1ESR2HDAC1HDAC8HDAC6
SCHEMBL17405293 0.89 ESR1 (0.43) ESR1ESR2HDAC1HDAC8HDAC6
SCHEMBL17405265 0.89 TP53 (0.40) MEN1KMT2ARPS6KB1PRKACAGSK3B
SCHEMBL17734289 0.88 ESR1 (0.45) ESR1ESR2HDAC1HDAC8HDAC6
SCHEMBL17405270 0.87 MAPT (0.48) GAAHTTPTGER4ALDH1A1LMNA
SCHEMBL17405249 0.87 MAPK1 (0.51) MAPK1HTTRXFP1ALDH1A1LMNA
SCHEMBL17406085 0.85 MAPT (0.36) MEN1KMT2AMAPK1HTTRXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9887367-B2 Heterocyclic compound, material for organic electroluminescent elements using same, organic electroluminescent element using same, and electronic device IDEMITSU KOSAN CO., LTD. (JP) 2018-02-06 US disclosed
US-9887367-B2 Heterocyclic compound, material for organic electroluminescent elements using same, organic electroluminescent element using same, and electronic device IDEMITSU KOSAN CO., LTD. (JP) 2018-02-06 US disclosed
US-20160005977-A1 HETEROCYCLIC COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS USING SAME, ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2016-01-07 US disclosed
US-20160005977-A1 HETEROCYCLIC COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS USING SAME, ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2016-01-07 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-20160005977-A1 HETEROCYCLIC COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS USING SAME, ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME, AND ELECTRONIC DEVICE ODC1, NOTUM, OR10J3 ESR1 29/4885ESR2 331/4885HDAC1 1004/4885

“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.