SCHEMBL20173221

SCHEMBL20173221

c1ccc(-n2c(-c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-c4cc5c6ccccc6c6ccccc6c5cc43)nc3ccccc32)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.43
ESR1 P03372 2/20 0.43
ESR2 Q92731 2/20 0.43
PTGER4 P35408 1/20 0.40
GRIA1 P42261 1/20 0.40
CACNG8 Q8WXS5 1/20 0.40
CACNG2 Q9Y698 1/20 0.40
HDAC1 Q13547 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HTT P42858 2/20 0.39
MAPK1 P28482 1/20 0.39
PRKACA P17612 1/20 0.37
RPS6KB1 P23443 1/20 0.37
GSK3B P49841 1/20 0.37
ROCK1 Q13464 1/20 0.37
PTGS2 P35354 1/20 0.36
ATR Q13535 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36

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
SCHEMBL20173193 0.96 ESR1 (0.44) RECQLESR1ESR2PTGER4GRIA1
SCHEMBL20173226 0.96 ESR1 (0.46) RECQLESR1ESR2PTGER4GRIA1
SCHEMBL18659192 0.92 ESR1 (0.44) RECQLESR1ESR2PTGER4GRIA1
SCHEMBL19869418 0.91 RECQL (0.38) RECQLESR1ESR2PTGER4GRIA1
SCHEMBL19164414 0.91 RECQL (0.48) RECQLESR1ESR2PTGER4GRIA1
SCHEMBL14681778 0.91 PTGER4 (0.42) RECQLESR1ESR2PTGER4GRIA1
SCHEMBL20173225 0.90 MAPK10 (0.42) RECQLESR1ESR2GRIA1CACNG8
SCHEMBL27258767 0.89 ESR1 (0.45) RECQLESR1ESR2PTGER4GRIA1
SCHEMBL20173203 0.89 ESR1 (0.41) RECQLESR1ESR2PTGER4GRIA1
SCHEMBL20173198 0.89 ESR1 (0.43) RECQLESR1ESR2PTGER4GRIA1

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-10651411-B2 Compound and organic light emitting device containing same LG CHEM, LTD. (KR) 2020-05-12 US disclosed
US-20180145272-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE CONTAINING SAME LG CHEM, LTD. (KR) 2018-05-24 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-20180145272-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE CONTAINING SAME CRY1, CRY2, OR10J3 RECQL 4187/4885ESR1 48/4885ESR2 402/4885
US-10651411-B2 Compound and organic light emitting device containing same CRY1, CRY2, OR10J3 RECQL 4187/4885ESR1 48/4885ESR2 402/4885

“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.