SCHEMBL22011704

SCHEMBL22011704

c1ccc2c(-c3cccc4oc5ccccc5c34)coc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 4/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ HPGD P15428 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ GLA P06280 2/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ PGAM1 P18669 1/20 0.41
▸ CASP1 P29466 1/20 0.41
▸ CASP7 P55210 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ CHRM2 P08172 1/20 0.40
▸ CHRM4 P08173 1/20 0.40
▸ CHRM5 P08912 1/20 0.40
▸ CHRM1 P11229 1/20 0.40
▸ CHRM3 P20309 1/20 0.40
▸ CDC14B O60729 1/20 0.38
▸ CDC14A Q9UNH5 1/20 0.38
▸ MIF P14174 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
SCHEMBL30550556 0.86 ALDH1A1 (0.52) MAOAALDH1A1KDM4EMAPTHPGD
SCHEMBL3081231 0.86 ALDH1A1 (0.52) MAOAALDH1A1KDM4EMAPTHPGD
SCHEMBL16670035 0.84 ALDH1A1 (0.50) MAOAALDH1A1KDM4EMAPTHPGD
SCHEMBL23287884 0.83 AHR (0.39) MAOAHPGDSMN1; SMN2CHRM2CHRM4
SCHEMBL2490828 0.82 CHRM2 (0.50) MAOAALDH1A1KDM4EMAPTHPGD
SCHEMBL22141302 0.80 ALDH1A1 (0.46) MAOAALDH1A1KDM4EMAPTHPGD
SCHEMBL17368368 0.80 MIF (0.33) MAOACHRM2CHRM4CHRM5CHRM1
SCHEMBL17229081 0.79 ALDH1A1 (0.45) MAOAALDH1A1KDM4EMAPTHPGD
SCHEMBL30022467 0.79 ALDH1A1 (0.45) MAOAALDH1A1KDM4EMAPTHPGD
SCHEMBL25125689 0.79 ALDH1A1 (0.56) MAOAALDH1A1KDM4EMAPTHPGD

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 8 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
CN-113195500-B Material for organic electroluminescent device 默克专利有限公司 2024-05-17 — — CN disclosed
EP-3880682-B1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2023-06-14 — — EP disclosed
EP-3880682-B1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2023-06-14 — — EP disclosed
US-20220223801-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2022-07-14 — — US 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 (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-20220223801-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES TMEM109, PIEZO1, L1CAM MAOA 418/4885ALDH1A1 8/4885KDM4E 3297/4885
US-20220006030-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES ZYX, RER1, AOC2 MAOA 1223/4885ALDH1A1 1119/4885KDM4E 1792/4885
US-12035625-B2 Materials for organic electroluminescent devices ZYX, RER1, AOC2 MAOA 1223/4885ALDH1A1 1119/4885KDM4E 1792/4885

“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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