SCHEMBL21742789

SCHEMBL21742789

Cc1ccccc1-c1ccccc1-c1cccc2c3ccccc3n(-c3ccccc3)c12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.52
ATM Q13315 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
ALKBH5 Q6P6C2 1/20 0.47
FTO Q9C0B1 1/20 0.47
CYP17A1 P05093 1/20 0.44
CYP1A2 P05177 1/20 0.44
DUSP3 P51452 1/20 0.42
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
BRD4 O60885 1/20 0.37
MAPK8 P45983 1/20 0.37
PGR P06401 1/20 0.36
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
DCTPP1 Q9H773 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
TSHR P16473 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
SCHEMBL17810101 0.98 KDM4E (0.53) KDM4EATML3MBTL1ALKBH5FTO
SCHEMBL14296009 0.90 L3MBTL1 (0.63) KDM4EATML3MBTL1ALKBH5FTO
SCHEMBL14296084 0.90 L3MBTL1 (0.63) KDM4EATML3MBTL1ALKBH5FTO
SCHEMBL14296105 0.90 L3MBTL1 (0.63) KDM4EATML3MBTL1ALKBH5FTO
SCHEMBL30017427 0.88 L3MBTL1 (0.65) KDM4EATML3MBTL1ALKBH5FTO
SCHEMBL20706844 0.88 L3MBTL1 (0.65) KDM4EATML3MBTL1ALKBH5FTO
SCHEMBL21742665 0.88 KDM4E (0.49) KDM4EATML3MBTL1ALKBH5FTO
SCHEMBL21382459 0.87 L3MBTL1 (0.63) KDM4EATML3MBTL1ALKBH5FTO
SCHEMBL21742790 0.87 L3MBTL1 (0.47) KDM4EATML3MBTL1ALKBH5FTO
SCHEMBL23989191 0.86 KDM4E (0.50) KDM4EATML3MBTL1ALKBH5FTO

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-20200055822-A1 MATERIALS FOR ORGANIC ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2020-02-20 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-20200055822-A1 MATERIALS FOR ORGANIC ELECTRONIC DEVICES PNMT, DDT, TYR KDM4E 3201/4885ATM 1504/4885L3MBTL1 2878/4885

“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.