SCHEMBL20173198

SCHEMBL20173198

c1ccc(-n2c(-c3ccc(-c4cccc5c4C4(c6ccccc6-c6cc7c8ccccc8c8ccccc8c7cc64)c4ccccc4-5)cc3)nc3ccccc32)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.43
ESR2 Q92731 2/20 0.43
RECQL P46063 1/20 0.41
GRIA1 P42261 1/20 0.40
CACNG8 Q8WXS5 1/20 0.40
CACNG2 Q9Y698 1/20 0.40
HDAC1 Q13547 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
GAA P10253 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
HTT P42858 2/20 0.37
MAPK1 P28482 1/20 0.37
ALDH1A1 P00352 7/20 0.37
LMNA P02545 1/20 0.37
PTGS2 P35354 1/20 0.37
PTGER4 P35408 1/20 0.36
HSP90AA1 P07900 1/20 0.36
MAPT P10636 1/20 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
SCHEMBL20173203 0.90 ESR1 (0.41) ESR1ESR2RECQLGRIA1CACNG8
SCHEMBL20173193 0.89 ESR1 (0.44) ESR1ESR2RECQLGRIA1CACNG8
SCHEMBL18659192 0.89 ESR1 (0.44) ESR1ESR2RECQLGRIA1CACNG8
SCHEMBL20173221 0.89 RECQL (0.43) ESR1ESR2RECQLGRIA1CACNG8
SCHEMBL18455579 0.87 ESR2 (0.56) ESR1ESR2RECQLGRIA1CACNG8
SCHEMBL19530620 0.85 ESR1 (0.42) ESR1ESR2RECQLGRIA1CACNG8
SCHEMBL20173226 0.84 ESR1 (0.46) ESR1ESR2RECQLGRIA1CACNG8
SCHEMBL19760041 0.84 ESR1 (0.45) ESR1ESR2RECQLGRIA1CACNG8
SCHEMBL20086905 0.84 ESR1 (0.49) ESR1ESR2RECQLGRIA1CACNG8
SCHEMBL19530714 0.84 ESR1 (0.42) ESR1ESR2RECQLGRIA1CACNG8

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 402/4885RECQL 4187/4885
US-10651411-B2 Compound and organic light emitting device containing same CRY1, CRY2, OR10J3 ESR1 48/4885ESR2 402/4885RECQL 4187/4885

“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.