SCHEMBL21397919

SCHEMBL21397919

c1ccc2c(c1)-c1ccccc1C21c2cc3c(cc2-c2cc4c5c6ccccc6ccc5n(-c5ccc6c(c5)oc5ccccc56)c4cc21)c1c2ccccc2ccc1n3-c1ccc2c(c1)oc1ccccc12

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33
PTGER4 P35408 1/20 0.32
AHR P35869 2/20 0.31
SIRT2 Q8IXJ6 1/20 0.31
SIRT1 Q96EB6 1/20 0.31

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
SCHEMBL20199638 0.93 SIRT2 (0.34) TDP1L3MBTL1KDM4EMEN1ALDH1A1
SCHEMBL26476599 0.91 TDP1 (0.30) TDP1L3MBTL1SIRT2SIRT1
SCHEMBL22617745 0.90 SIRT2 (0.31) SIRT2SIRT1
SCHEMBL23185062 0.89 TDP1 (0.31) TDP1L3MBTL1PTGER4
SCHEMBL20199761 0.89 MEN1 (0.33) TDP1L3MBTL1KDM4EMEN1ALDH1A1
SCHEMBL23184166 0.88
SCHEMBL20199600 0.88 SIRT2 (0.33) TDP1L3MBTL1KDM4EMEN1ALDH1A1
SCHEMBL23738833 0.87 TDP1 (0.30) TDP1L3MBTL1
SCHEMBL26476596 0.86 TDP1 (0.31) TDP1L3MBTL1SIRT2SIRT1
SCHEMBL21125560 0.86 ALDH1A1 (0.31) ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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 TDP1 2620/4885L3MBTL1 2504/4885KDM4E 4613/4885

“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.