SCHEMBL20173226

SCHEMBL20173226

c1ccc(-c2ccc(-n3c(-c4ccc5c(c4)C4(c6ccccc6-5)c5ccccc5-c5cc6c7ccccc7c7ccccc7c6cc54)nc4ccccc43)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.46
ESR2 Q92731 3/20 0.46
GRIA1 P42261 1/20 0.41
CACNG8 Q8WXS5 1/20 0.41
CACNG2 Q9Y698 1/20 0.41
HDAC1 Q13547 3/20 0.40
HDAC8 Q9BY41 3/20 0.40
HDAC6 Q9UBN7 3/20 0.40
MEN1 O00255 1/20 0.39
HSP90AA1 P07900 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
RECQL P46063 1/20 0.39
PTGS2 P35354 1/20 0.38
PTGER4 P35408 1/20 0.37
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 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
SCHEMBL20173221 0.96 RECQL (0.43) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL20173193 0.94 ESR1 (0.44) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL20173225 0.90 MAPK10 (0.42) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL18659192 0.90 ESR1 (0.44) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL19530621 0.89 ESR1 (0.46) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL19315563 0.89 ESR1 (0.46) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL19164151 0.88 ESR2 (0.54) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL27258767 0.87 ESR1 (0.45) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL19869418 0.87 RECQL (0.38) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL19164414 0.87 RECQL (0.48) ESR1ESR2GRIA1CACNG8CACNG2

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-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
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 ESR1 48/4885ESR2 402/4885GRIA1 806/4885
US-10651411-B2 Compound and organic light emitting device containing same CRY1, CRY2, OR10J3 ESR1 48/4885ESR2 402/4885GRIA1 806/4885

“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.