SCHEMBL21392559

SCHEMBL21392559

c1ccc(-c2nc3ccccc3n2-c2ccc(-c3c4ccccc4c(-c4ccc(-c5ccccn5)cc4)c4ccccc34)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.55
ESR2 Q92731 1/20 0.55
GRIA1 P42261 1/20 0.48
CACNG8 Q8WXS5 1/20 0.48
CACNG2 Q9Y698 1/20 0.48
KMT2A Q03164 3/20 0.46
MAPT P10636 2/20 0.46
MEN1 O00255 2/20 0.46
HSP90AA1 P07900 1/20 0.46
CTSD P07339 2/20 0.44
PTGS2 P35354 1/20 0.44
ALDH1A1 P00352 6/20 0.43
DHODH Q02127 1/20 0.43
CYP2C19 P33261 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
PPP1CA P62136 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
KDM4E B2RXH2 1/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL26344454 0.96 ESR1 (0.50) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL24813301 0.96 ESR1 (0.56) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL26344585 0.93 ESR1 (0.51) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL24811912 0.93 ESR1 (0.51) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL26345101 0.92 ESR1 (0.44) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL26344399 0.91 ESR1 (0.51) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL26344457 0.91 ESR1 (0.45) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL26344453 0.91 ESR1 (0.45) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL26344588 0.91 ESR1 (0.48) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL26345128 0.91 CTSD (0.44) 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
US-11877509-B2 Organic light-emitting element LG CHEM, LTD. 2024-01-16 US disclosed
US-11877509-B2 Organic light-emitting element LG CHEM, LTD. 2024-01-16 US disclosed
US-20230309380-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE, ORGANIC ELECTROLUMINESCENCE DEVICE, AND ELECTRONIC APPARATUS IDEMITSU KOSAN CO.,LTD. (JP) 2023-09-28 US disclosed
US-20190296238-A1 Organic Light-emitting Element LG CHEM, LTD. (KR) 2019-09-26 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 (3 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-20190296238-A1 Organic Light-emitting Element CRY1, CRY2, NR2E3 ESR1 4/4885ESR2 33/4885GRIA1 1310/4885
US-20230309380-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE, ORGANIC ELECTROLUMINESCENCE DEVICE, AND ELECTRONIC APPARATUS PIEZO1, OR10J3, TMEM109 ESR1 124/4885ESR2 596/4885GRIA1 605/4885
US-11877509-B2 Organic light-emitting element CRY1, CRY2, NR2E3 ESR1 4/4885ESR2 33/4885GRIA1 1310/4885

“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.