SCHEMBL22011700

SCHEMBL22011700

c1ccc2c(c1)oc1c3ccc4sc5ccccc5c4c3c3c4ccccc4sc3c21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR2 Q92731 3/20 0.40
▸ ESR1 P03372 1/20 0.40
▸ GPR3 P46089 1/20 0.36
▸ MAPT P10636 6/20 0.34
▸ MEN1 O00255 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ TDP1 Q9NUW8 2/20 0.34
▸ BLM P54132 2/20 0.34
▸ MCL1 Q07820 2/20 0.34
▸ POLB P06746 1/20 0.34
▸ DUSP3 P51452 1/20 0.34
▸ PTPN5 P54829 1/20 0.34
▸ PTPN11 Q06124 1/20 0.34
▸ CTDSP1 Q9GZU7 1/20 0.34
▸ TNKS O95271 1/20 0.33
▸ TNKS2 Q9H2K2 1/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.32
▸ HPGD P15428 3/20 0.32
▸ RAB9A P51151 3/20 0.32
▸ ALDH1A1 P00352 1/20 0.32

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
SCHEMBL1637446 0.82 GPR3 (0.43) ESR2ESR1GPR3MAPTMEN1
SCHEMBL19108803 0.80 ESR2 (0.42) ESR2ESR1GPR3MAPTMEN1
SCHEMBL22011714 0.80 GPR3 (0.48) ESR2ESR1GPR3MAPTMEN1
SCHEMBL22012012 0.79 ESR2 (0.43) ESR2ESR1GPR3MAPTMEN1
SCHEMBL16919467 0.78 ESR2 (0.41) ESR2ESR1GPR3MAPTMEN1
SCHEMBL17930626 0.78 GPR3 (0.46) ESR2ESR1GPR3MAPTMEN1
SCHEMBL26543208 0.78 ESR2 (0.37) ESR2ESR1MAPTMEN1KMT2A
SCHEMBL19108802 0.77 ESR2 (0.42) ESR2ESR1GPR3MAPTMEN1
SCHEMBL22011948 0.77 TDP1 (0.38) ESR2ESR1GPR3MAPTMEN1
SCHEMBL16919420 0.77 GPR3 (0.45) ESR2ESR1GPR3MAPTMEN1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12035625-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2024-07-09 — — US disclosed
US-12035625-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2024-07-09 — — US disclosed
EP-3880682-B1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2023-06-14 — — EP disclosed
US-20220006030-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2022-01-06 — — US disclosed
WO-2020099307-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2020-05-22 — — WO 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-20220006030-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES ZYX, RER1, AOC2 ESR2 30/4885ESR1 259/4885GPR3 2982/4885
US-12035625-B2 Materials for organic electroluminescent devices ZYX, RER1, AOC2 ESR2 30/4885ESR1 259/4885GPR3 2982/4885

“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.

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