SCHEMBL17830132

SCHEMBL17830132

CC1(C)c2ccccc2N(c2ccc(-c3cc(-c4ccccc4)nc(-c4ccccc4)c3)cc2)c2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
CYP19A1 P11511 1/20 0.39
ADORA1 P30542 2/20 0.37
ADORA3 P0DMS8 1/20 0.37
ADORA2B P29275 1/20 0.37
MCL1 Q07820 2/20 0.36
PDE6D O43924 1/20 0.36
EGLN1 Q9GZT9 2/20 0.35
MYC P01106 1/20 0.35
FAAH O00519 1/20 0.35
MGLL Q99685 1/20 0.35
MAPT P10636 3/20 0.35
TDP1 Q9NUW8 2/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CTRC Q99895 1/20 0.35
TSHR P16473 1/20 0.34

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
SCHEMBL18383121 1.00 KMT2A (0.41) KMT2AMEN1CYP19A1ADORA1ADORA3
SCHEMBL22969712 0.96 MEN1 (0.39) KMT2AMEN1CYP19A1ADORA1ADORA3
SCHEMBL15084800 0.95 KMT2A (0.38) KMT2AMEN1CYP19A1ADORA1ADORA3
SCHEMBL20230672 0.91 MEN1 (0.35) KMT2AMEN1CYP19A1ADORA1ADORA3
SCHEMBL15084796 0.91 MCL1 (0.41) KMT2AMEN1CYP19A1MCL1EGLN1
SCHEMBL17278603 0.90 MEN1 (0.45) KMT2AMEN1ADORA1ADORA3MAPT
SCHEMBL17278605 0.90 MEN1 (0.45) KMT2AMEN1ADORA1ADORA3MAPT
SCHEMBL13231648 0.90 ADAMTS5 (0.37) KMT2AMEN1CYP19A1ADORA1ADORA3
SCHEMBL20230649 0.90 MEN1 (0.35) KMT2AMEN1CYP19A1ADORA1ADORA3
SCHEMBL21510463 0.90 MEN1 (0.35) KMT2AMEN1CYP19A1ADORA1ADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10439148-B2 Compound, light emitting material, and organic light emitting device NIPPON STEEL CHEMICAL & MATERIAL CO., LTD. (JP) 2019-10-08 US disclosed
US-20160172600-A1 COMPOUND, LIGHT EMITTING MATERIAL, AND ORGANIC LIGHT EMITTING DEVICE NIPPON STEEL CHEMICAL & MATERIAL CO., LTD. (JP) 2016-06-16 US disclosed
US-20160172600-A1 COMPOUND, LIGHT EMITTING MATERIAL, AND ORGANIC LIGHT EMITTING DEVICE NIPPON STEEL CHEMICAL & MATERIAL CO., LTD. (JP) 2016-06-16 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 (2 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-10439148-B2 Compound, light emitting material, and organic light emitting device NR2E3, ARL1, RER1 KMT2A 2217/4885MEN1 1453/4885CYP19A1 775/4885
US-20160172600-A1 COMPOUND, LIGHT EMITTING MATERIAL, AND ORGANIC LIGHT EMITTING DEVICE NR2E3, ARL1, RER1 KMT2A 2217/4885MEN1 1453/4885CYP19A1 775/4885

“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.