SCHEMBL21396833

SCHEMBL21396833

N#Cc1c(-n2c3ccccc3c3cc(-c4ccccc4)ccc32)c(-n2c3ccccc3c3cc(-c4ccccc4)ccc32)c(-c2cccc(-n3c4ccccc4c4cccnc43)c2)c(-n2c3ccccc3c3cc(-c4ccccc4)ccc32)c1-n1c2ccccc2c2cc(-c3ccccc3)ccc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
TSHR P16473 1/20 0.35
CYP2C19 P33261 1/20 0.35
CYP11B2 P19099 1/20 0.32
NPY5R Q15761 1/20 0.32
KDM4E B2RXH2 2/20 0.31
LMNA P02545 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
NCOA3 Q9Y6Q9 1/20 0.31
FEN1 P39748 1/20 0.31
PDE4A P27815 4/20 0.31
KCNH2 Q12809 4/20 0.31
AR P10275 2/20 0.31
TSPO P30536 1/20 0.30
PTGER4 P35408 1/20 0.30
NTRK1 P04629 1/20 0.30
PIM1 P11309 1/20 0.30
ATM Q13315 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL21378010 1.00 ALDH1A1 (0.35) ALDH1A1TSHRCYP2C19CYP11B2NPY5R
SCHEMBL21396582 0.98 ALDH1A1 (0.35) ALDH1A1TSHRCYP2C19CYP11B2NPY5R
SCHEMBL21396873 0.94 ALDH1A1 (0.36) ALDH1A1TSHRCYP2C19CYP11B2KDM4E
SCHEMBL21397144 0.93 ALDH1A1 (0.35) ALDH1A1TSHRCYP2C19CYP11B2NPY5R
SCHEMBL21396607 0.92 ALDH1A1 (0.36) ALDH1A1TSHRCYP2C19CYP11B2KDM4E
SCHEMBL21396583 0.89 ALDH1A1 (0.34) ALDH1A1TSHRCYP2C19CYP11B2KDM4E
SCHEMBL21396868 0.89 ALDH1A1 (0.34) ALDH1A1TSHRCYP2C19CYP11B2KDM4E
SCHEMBL21378000 0.89 ALDH1A1 (0.37) ALDH1A1TSHRCYP2C19CYP11B2KDM4E
SCHEMBL21377976 0.87 ALDH1A1 (0.35) ALDH1A1TSHRCYP2C19CYP11B2NPY5R
SCHEMBL17570670 0.85 ALDH1A1 (0.36) ALDH1A1TSHRCYP2C19CYP11B2NPY5R

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.