SCHEMBL131998

SCHEMBL131998

O=C(c1cc(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)cc(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)c1)c1cc(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)cc(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.61
EGFR P00533 1/20 0.55
DHODH Q02127 2/20 0.55
ALDH1A1 P00352 2/20 0.55
ATM Q13315 2/20 0.52
TDP1 Q9NUW8 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
MAPT P10636 2/20 0.50
HDAC8 Q9BY41 1/20 0.50
MEN1 O00255 1/20 0.50
LMNA P02545 1/20 0.50
RAB9A P51151 1/20 0.50
KMT2A Q03164 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.48
POLB P06746 1/20 0.47
MAPK1 P28482 1/20 0.47
CDC25B P30305 1/20 0.47
SRD5A2 P31213 1/20 0.46
MKNK1 Q9BUB5 1/20 0.46
MKNK2 Q9HBH9 1/20 0.46

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
SCHEMBL15081115 1.00 KMO (0.61) KMOEGFRDHODHALDH1A1ATM
SCHEMBL12551713 1.00 KMO (0.61) KMOEGFRDHODHALDH1A1ATM
SCHEMBL131986 1.00 KMO (0.61) KMOEGFRDHODHALDH1A1ATM
SCHEMBL10039121 0.98 KMO (0.59) KMOEGFRDHODHALDH1A1ATM
SCHEMBL131991 0.98 KMO (0.59) KMOEGFRDHODHALDH1A1ATM
SCHEMBL134060 0.95 KMO (0.69) KMOEGFRDHODHALDH1A1ATM
SCHEMBL12551712 0.95 KMO (0.69) KMOEGFRDHODHALDH1A1ATM
SCHEMBL12551710 0.95 KMO (0.69) KMOEGFRDHODHALDH1A1ATM
SCHEMBL12551723 0.95 KMO (0.69) KMOEGFRDHODHALDH1A1ATM
SCHEMBL12551791 0.95 KMO (0.69) KMOEGFRDHODHALDH1A1ATM

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 65 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11535640-B2 Metal complexes MERCK PATENT GMBH (DE) 2022-12-27 US disclosed
US-11322696-B2 Metal complexes MERCK PATENT GMBH (DE) 2022-05-03 US disclosed
US-11145828-B2 Metal complexes MERCK PATENT GMBH (DE) 2021-10-12 US disclosed
US-11136343-B2 Binuclear metal complexes for use as emitters in organic electroluminescent devices MERCK PATENT GMBH (DE) 2021-10-05 US disclosed
EP-3526228-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2020-11-25 EP disclosed
US-10714691-B2 Formulations for the production of electronic devices MERCK PATENT GMBH (DE) 2020-07-14 US disclosed
US-20200207794-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2020-07-02 US disclosed
EP-2627730-B1 FORMULATIONS FOR ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2020-05-06 EP 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
US-20120056169-A1 ORGANIC ELECTROLUMINESCENT DEVICE MERCK PATENT GMBH PATENTS & SCIENTIFIC INFORMATION (DE) 2012-03-08 US disclosed
US-20120037896-A1 ORGANIC ELECTROLUMINESCENCE DEVICE MERCK PATENT GMBH (DE) 2012-02-16 US disclosed
US-20120037896-A1 ORGANIC ELECTROLUMINESCENCE DEVICE MERCK PATENT GMBH (DE) 2012-02-16 US disclosed
US-20110284831-A1 ORGANIC ELECTROLUMINESCENCE DEVICE MERCK PATENT GMBH (DE) 2011-11-24 US disclosed
US-20110284831-A1 ORGANIC ELECTROLUMINESCENCE DEVICE MERCK PATENT GMBH (DE) 2011-11-24 US disclosed
US-20110140043-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICE MERCK PATENT GMBH (DE) 2011-06-16 US disclosed
US-20110140043-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICE MERCK PATENT GMBH (DE) 2011-06-16 US disclosed
US-20110108818-A1 ORGANIC ELECTROLUMINESCENCE DEVICE MERCK PATENT GMBH (DE) 2011-05-12 US disclosed
US-20110108818-A1 ORGANIC ELECTROLUMINESCENCE DEVICE MERCK PATENT GMBH (DE) 2011-05-12 US disclosed
WO-2011032686-A1 FORMULAS FOR PRODUCING ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2011-03-24 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 (9 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-11145828-B2 Metal complexes AP1M1, AP2M1, AP3M1 KMO 1953/4885EGFR 3963/4885DHODH 4150/4885
US-20190292210-A1 BINUCLEAR METAL COMPLEXES FOR USE AS EMITTERS IN ORGANIC ELECTROLUMINESCENT DEVICES AP2M1, MCU, AP3M1 KMO 2811/4885EGFR 4288/4885DHODH 3665/4885
US-20110140043-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICE L1CAM, SLCO4C1, GJA1 KMO 2354/4885EGFR 1880/4885DHODH 3617/4885
US-20200207794-A1 METAL COMPLEXES IMMT, MCU, SOD1 KMO 3204/4885EGFR 3784/4885DHODH 3251/4885
US-11322696-B2 Metal complexes AP1M1, AP3M1, AP2M1 KMO 2149/4885EGFR 3949/4885DHODH 4280/4885
US-11535640-B2 Metal complexes IMMT, MCU, SOD1 KMO 3204/4885EGFR 3784/4885DHODH 3251/4885
US-11136343-B2 Binuclear metal complexes for use as emitters in organic electroluminescent devices AP2M1, MCU, AP3M1 KMO 2811/4885EGFR 4288/4885DHODH 3665/4885
US-20200052213-A1 BINUCLEAR METAL COMPLEXES AND ELECTRONIC DEVICES, IN PARTICULAR ORGANIC ELECTROLUMINESCENT DEVICES CONTAINING SAID METAL COMPLEXES BICRA, NCLN, IMMT KMO 2138/4885EGFR 4169/4885DHODH 3819/4885
US-10714691-B2 Formulations for the production of electronic devices NR3C2, KCNE1, NR2E1 KMO 656/4885EGFR 1299/4885DHODH 4395/4885

“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.