SCHEMBL21397856

SCHEMBL21397856

O=C(c1ccccc1)c1cccc(C(=O)c2cccc(C(=O)c3cc(C(=O)c4cccc(C(=O)c5cccc(C(=O)c6ccccc6)c5)c4)cc(C(=O)c4cccc(C(=O)c5cccc(C(=O)c6ccccc6-c6ccc(N(c7ccccc7)c7ccc8c(c7)C7(c9cc(C(=O)c%10ccccc%10)ccc9-c9ccc(N(c%10ccccc%10)c%10ccccc%10)cc97)c7cc(C(=O)c9ccccc9)ccc7-8)cc6)c5)c4)c3)c2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 3/20 0.42
▸ CYP2C8 P10632 3/20 0.40
▸ ATM Q13315 2/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ CYP2C9 P11712 2/20 0.37
▸ CNR2 P34972 1/20 0.36
▸ HSD17B1 P14061 1/20 0.36
▸ HSD17B2 P37059 1/20 0.36
▸ LTB4R2 Q9NPC1 1/20 0.35
▸ MAPK13 O15264 1/20 0.35
▸ MAPK12 P53778 1/20 0.35
▸ MAPK11 Q15759 1/20 0.35
▸ MAPK14 Q16539 1/20 0.35
▸ HCRTR1 O43613 1/20 0.35
▸ HCRTR2 O43614 1/20 0.35
▸ PPARG P37231 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ RAB9A P51151 1/20 0.35

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
SCHEMBL22175308 0.88 PDK2 (0.42) PDK2ATMTDP1L3MBTL1CNR2
SCHEMBL132979 0.86 PDK2 (0.50) PDK2CYP2C8ATMTDP1L3MBTL1
SCHEMBL17950260 0.84 LTB4R2 (0.46) CYP2C8ATMTDP1L3MBTL1CYP2C9
SCHEMBL17950663 0.84 LTB4R2 (0.46) CYP2C8ATMTDP1L3MBTL1CYP2C9
SCHEMBL24380075 0.83 PDK2 (0.45) PDK2ATMTDP1L3MBTL1CNR2
SCHEMBL134303 0.83 PDK2 (0.49) PDK2TDP1NPC1HPGDRAB9A
SCHEMBL12856537 0.83 PDK2 (0.49) PDK2TDP1NPC1HPGDRAB9A
SCHEMBL17950130 0.83 LTB4R2 (0.45) CYP2C8ATMTDP1L3MBTL1CYP2C9
SCHEMBL22175305 0.82 PDK2 (0.40) PDK2CYP2C8CYP2C9CDC25B
SCHEMBL17955198 0.80 LTB4R2 (0.49) CYP2C8ATMCYP2C9LTB4R2MAPK13

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 2 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-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 (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-20190292210-A1 BINUCLEAR METAL COMPLEXES FOR USE AS EMITTERS IN ORGANIC ELECTROLUMINESCENT DEVICES AP2M1, MCU, AP3M1 PDK2 3125/4885CYP2C8 3896/4885ATM 4246/4885
US-11136343-B2 Binuclear metal complexes for use as emitters in organic electroluminescent devices AP2M1, MCU, AP3M1 PDK2 3125/4885CYP2C8 3896/4885ATM 4246/4885

“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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