SCHEMBL21742785

SCHEMBL21742785

Cc1ccc(-c2cccc3c4ccccc4n(-c4ccccc4)c23)cc1-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
ATM Q13315 1/20 0.44
CYP17A1 P05093 2/20 0.41
CYP1A2 P05177 2/20 0.41
ALKBH5 Q6P6C2 1/20 0.38
FTO Q9C0B1 1/20 0.38
DUSP3 P51452 1/20 0.37
HTR1A P08908 1/20 0.36
HTR7 P34969 1/20 0.36
AVPR1A P37288 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
KMT2A Q03164 4/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
IL1R1 P14778 1/20 0.35
NR3C1 P04150 1/20 0.35
PGR P06401 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MEN1 O00255 2/20 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
SCHEMBL21742783 0.90 L3MBTL1 (0.44) KDM4EL3MBTL1ATMCYP17A1CYP1A2
SCHEMBL21742786 0.89 KDM4E (0.46) KDM4EL3MBTL1ATMCYP17A1CYP1A2
SCHEMBL27388107 0.89 KDM4E (0.46) KDM4EL3MBTL1ATMCYP17A1CYP1A2
SCHEMBL21742665 0.89 KDM4E (0.49) KDM4EL3MBTL1ATMCYP17A1CYP1A2
SCHEMBL18435975 0.86 L3MBTL1 (0.55) KDM4EL3MBTL1ATMALKBH5FTO
SCHEMBL14296001 0.86 L3MBTL1 (0.55) KDM4EL3MBTL1ATMALKBH5FTO
SCHEMBL14296000 0.86 L3MBTL1 (0.59) KDM4EL3MBTL1ATMCYP17A1CYP1A2
SCHEMBL16491724 0.86 L3MBTL1 (0.59) KDM4EL3MBTL1ATMALKBH5FTO
SCHEMBL19001662 0.85 NPC1 (0.50) KDM4EL3MBTL1ATMDUSP3RXFP1
SCHEMBL17879424 0.85 L3MBTL1 (0.50) KDM4EL3MBTL1ATMALKBH5FTO

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.