SCHEMBL21397887

SCHEMBL21397887

O=C(c1cc(-c2ccccc2)cc(-c2ccccc2)c1)c1cc(-c2ccccc2)cc(-c2ccc(-c3cc(-c4ccccc4)cc(-c4cc(C(=O)c5cc(-c6cccc(-c7ccccc7)c6)cc(-c6cccc(-c7ccccc7)c6)c5)cc(-c5cccc(-c6ccccc6)c5)c4)c3)cc2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMO O15229 1/20 0.67
▸ DHODH Q02127 4/20 0.59
▸ HDAC8 Q9BY41 1/20 0.55
▸ EGFR P00533 1/20 0.55
▸ ACMSD Q8TDX5 1/20 0.53
▸ ATM Q13315 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ MAPT P10636 2/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ ERCC5 P28715 1/20 0.50
▸ FEN1 P39748 1/20 0.50
▸ LMNA P02545 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ RXRA P19793 1/20 0.48
▸ RXRB P28702 1/20 0.48
▸ PRSS1 P07477 1/20 0.48
▸ PRSS2 P07478 1/20 0.48
▸ PRSS3 P35030 1/20 0.48

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
SCHEMBL12551714 1.00 KMO (0.67) KMODHODHHDAC8EGFRACMSD
SCHEMBL12551756 0.98 KMO (0.69) KMODHODHHDAC8EGFRACMSD
SCHEMBL12551710 0.98 KMO (0.69) KMODHODHHDAC8EGFRACMSD
SCHEMBL12551791 0.98 KMO (0.69) KMODHODHHDAC8EGFRACMSD
SCHEMBL134060 0.98 KMO (0.69) KMODHODHHDAC8EGFRACMSD
SCHEMBL12551723 0.98 KMO (0.69) KMODHODHHDAC8EGFRACMSD
SCHEMBL12551712 0.98 KMO (0.69) KMODHODHHDAC8EGFRACMSD
SCHEMBL12181767 0.98 KMO (0.69) KMODHODHHDAC8EGFRACMSD
SCHEMBL131991 0.96 KMO (0.59) KMODHODHHDAC8EGFRACMSD
SCHEMBL10039121 0.96 KMO (0.59) KMODHODHHDAC8EGFRACMSD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11136343-B2 Binuclear metal complexes for use as emitters in organic electroluminescent devices MERCK PATENT GMBH (DE) 2021-10-05 — — US disclosed
US-20200052213-A1 BINUCLEAR METAL COMPLEXES AND ELECTRONIC DEVICES, IN PARTICULAR ORGANIC ELECTROLUMINESCENT DEVICES CONTAINING SAID METAL COMPLEXES MERCK PATENT GMBH (DE) 2020-02-13 — — US disclosed
US-20190292210-A1 BINUCLEAR METAL COMPLEXES FOR USE AS EMITTERS IN ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 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-20190292210-A1 BINUCLEAR METAL COMPLEXES FOR USE AS EMITTERS IN ORGANIC ELECTROLUMINESCENT DEVICES AP2M1, MCU, AP3M1 KMO 2811/4885DHODH 3665/4885HDAC8 3987/4885
US-11136343-B2 Binuclear metal complexes for use as emitters in organic electroluminescent devices AP2M1, MCU, AP3M1 KMO 2811/4885DHODH 3665/4885HDAC8 3987/4885
US-20200052213-A1 BINUCLEAR METAL COMPLEXES AND ELECTRONIC DEVICES, IN PARTICULAR ORGANIC ELECTROLUMINESCENT DEVICES CONTAINING SAID METAL COMPLEXES BICRA, NCLN, IMMT KMO 2138/4885DHODH 3819/4885HDAC8 3432/4885

“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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