SCHEMBL22012012

SCHEMBL22012012

c1ccc2c(c1)oc1c3sc4ccccc4c3c3c4c5ccccc5oc4c4sc5ccccc5c4c3c21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR2 Q92731 2/20 0.43
▸ ESR1 P03372 1/20 0.43
▸ GPR3 P46089 1/20 0.39
▸ TNKS O95271 1/20 0.38
▸ TNKS2 Q9H2K2 1/20 0.38
▸ KDM5A P29375 1/20 0.36
▸ MAPT P10636 5/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.34
▸ HPGD P15428 3/20 0.34
▸ MAOA P21397 2/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ CYP3A4 P08684 2/20 0.34
▸ CASP7 P55210 2/20 0.34
▸ HSD17B10 Q99714 2/20 0.34
▸ GLA P06280 1/20 0.34
▸ PGAM1 P18669 1/20 0.34

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
SCHEMBL19108803 0.88 ESR2 (0.42) ESR2ESR1GPR3TNKSTNKS2
SCHEMBL19108802 0.81 ESR2 (0.42) ESR2ESR1GPR3TNKSTNKS2
SCHEMBL16867245 0.81 MEN1 (0.50) ESR2ESR1TNKSTNKS2MAPT
SCHEMBL17406009 0.81 ALDH1A1 (0.38) ESR2ESR1MEN1KMT2ASMN1; SMN2
SCHEMBL17406127 0.81 ALDH1A1 (0.38) ESR2ESR1MEN1KMT2ASMN1; SMN2
SCHEMBL22011700 0.79 ESR2 (0.40) ESR2ESR1GPR3TNKSTNKS2
SCHEMBL16867273 0.78 MEN1 (0.50) ESR2ESR1TNKSTNKS2MAPT
SCHEMBL17405676 0.78 KDM4E (0.37) ESR2ESR1MEN1KMT2ASMN1; SMN2
SCHEMBL29923014 0.78 ESR2 (0.53) ESR2ESR1GPR3TNKSTNKS2
SCHEMBL15101937 0.78 ESR2 (0.53) ESR2ESR1GPR3TNKSTNKS2

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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