SCHEMBL21742786

SCHEMBL21742786

Cc1ccccc1-c1cccc(-c2cccc3c4ccccc4n(-c4ccccc4)c23)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
ATM Q13315 1/20 0.46
HTR7 P34969 3/20 0.44
HTR1A P08908 1/20 0.44
ALKBH5 Q6P6C2 1/20 0.43
FTO Q9C0B1 1/20 0.43
CYP17A1 P05093 1/20 0.40
CYP1A2 P05177 1/20 0.40
GRM5 P41594 1/20 0.39
NR3C1 P04150 1/20 0.39
PGR P06401 1/20 0.39
DUSP3 P51452 1/20 0.39
KMT2A Q03164 4/20 0.37
RXFP1 Q9HBX9 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
TRPA1 O75762 1/20 0.37
IL1R1 P14778 1/20 0.37
PTPN1 P18031 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
SCHEMBL21742665 0.92 KDM4E (0.49) KDM4EL3MBTL1ATMHTR7HTR1A
SCHEMBL14296001 0.91 L3MBTL1 (0.55) KDM4EL3MBTL1ATMALKBH5FTO
SCHEMBL14296117 0.90 L3MBTL1 (0.53) KDM4EL3MBTL1ATMDUSP3KMT2A
SCHEMBL14296102 0.90 L3MBTL1 (0.53) KDM4EL3MBTL1ATMDUSP3KMT2A
SCHEMBL14296081 0.90 L3MBTL1 (0.53) KDM4EL3MBTL1ATMDUSP3KMT2A
SCHEMBL21742785 0.89 KDM4E (0.44) KDM4EL3MBTL1ATMHTR7HTR1A
SCHEMBL21742783 0.89 L3MBTL1 (0.44) KDM4EL3MBTL1ATMHTR7HTR1A
SCHEMBL28194149 0.88 L3MBTL1 (0.52) KDM4EL3MBTL1ATMDUSP3KMT2A
SCHEMBL14296125 0.88 L3MBTL1 (0.52) KDM4EL3MBTL1ATMDUSP3KMT2A
SCHEMBL19001662 0.87 NPC1 (0.50) KDM4EL3MBTL1ATMDUSP3KMT2A

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 3201/4885L3MBTL1 2878/4885ATM 1504/4885

“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.