SCHEMBL21396835

SCHEMBL21396835

N#Cc1c(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)cc(-c2ccc(-n3c4ccccc4c4cccnc43)cc2)cc1-n1c2ccc(-c3ccccc3)cc2c2cc(-c3ccccc3)ccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37
CYP2C19 P33261 1/20 0.37
KDM4E B2RXH2 1/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CYP11B2 P19099 1/20 0.34
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
FEN1 P39748 1/20 0.33
AR P10275 2/20 0.32
TSPO P30536 1/20 0.32
HDAC4 P56524 1/20 0.32
NTRK1 P04629 1/20 0.32
PIM1 P11309 1/20 0.32
NPY5R Q15761 1/20 0.31
DDB1 Q16531 1/20 0.31
CRBN Q96SW2 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
SCHEMBL21396827 0.96 ALDH1A1 (0.38) ALDH1A1TSHRCYP2C19KDM4ECYP11B2
SCHEMBL21377976 0.94 ALDH1A1 (0.35) ALDH1A1TSHRCYP2C19KDM4EATM
SCHEMBL21396579 0.92 ALDH1A1 (0.35) ALDH1A1TSHRCYP2C19KDM4EATM
SCHEMBL21397085 0.90 PDE10A (0.35) ALDH1A1TSHRCYP2C19KDM4ECYP11B2
SCHEMBL21397097 0.90 KDM4E (0.35) ALDH1A1TSHRCYP2C19KDM4EATM
SCHEMBL21396581 0.88 CYP11B2 (0.34) ALDH1A1TSHRCYP2C19KDM4EATM
SCHEMBL21396876 0.88 KDM4E (0.34) ALDH1A1KDM4EATML3MBTL1CYP11B2
SCHEMBL21481285 0.88 ALDH1A1 (0.45) ALDH1A1TSHRCYP2C19KDM4EATM
SCHEMBL21397144 0.86 ALDH1A1 (0.35) ALDH1A1TSHRCYP2C19KDM4ECYP11B2
SCHEMBL21485491 0.86 ALDH1A1 (0.41) ALDH1A1TSHRCYP2C19KDM4EATM

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-20190292181-A1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES Kyulux North America, Inc. 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-20190292181-A1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES CRY2, SLCO1B3, NDUFV3 ALDH1A1 242/4885TSHR 4805/4885CYP2C19 795/4885

“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.