SCHEMBL20173224

SCHEMBL20173224

c1ccc2c(c1)-c1cccc3c4c(cc-2c13)C1(c2ccccc2-c2ccc(-c3nc5ccccc5n3-c3ccc5ccccc5c3)cc21)c1ccccc1-4

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 9/20 0.39
ESR1 P03372 2/20 0.33
ESR2 Q92731 2/20 0.33
GRIA1 P42261 1/20 0.33
CACNG8 Q8WXS5 1/20 0.33
CACNG2 Q9Y698 1/20 0.33
HPGD P15428 1/20 0.33
HDAC1 Q13547 3/20 0.32
HDAC8 Q9BY41 3/20 0.32
HDAC6 Q9UBN7 3/20 0.32
FLT3 P36888 2/20 0.32
PTGS2 P35354 1/20 0.31

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
SCHEMBL20173223 0.91 ESR1 (0.41) MAPK10ESR1ESR2GRIA1CACNG8
SCHEMBL20173222 0.91 RECQL (0.38) MAPK10ESR1ESR2GRIA1CACNG8
SCHEMBL18659450 0.88 ESR1 (0.39) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL20173002 0.85 ALDH1A1 (0.31) HPGD
SCHEMBL20173225 0.84 MAPK10 (0.42) MAPK10ESR1ESR2GRIA1CACNG8
SCHEMBL20225240 0.84 RECQL (0.37) MAPK10ESR1ESR2GRIA1CACNG8
SCHEMBL20173189 0.82 ESR1 (0.39) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL20173194 0.82 ESR1 (0.40) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL20225181 0.82 RECQL (0.39) MAPK10ESR1ESR2GRIA1CACNG8
SCHEMBL20173185 0.81 ESR1 (0.39) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3351523-B1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE CONTAINING SAME LG CHEMICAL LTD (KR) 2020-11-04 EP disclosed
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 MAPK10 4429/4885ESR1 48/4885ESR2 402/4885
US-10651411-B2 Compound and organic light emitting device containing same CRY1, CRY2, OR10J3 MAPK10 4429/4885ESR1 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.