SCHEMBL10000569

SCHEMBL10000569

Cc1c(-c2nc3ccccc3cc2C#N)ccc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.50
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 2/20 0.48
GAA P10253 1/20 0.48
MAPT P10636 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TSHR P16473 3/20 0.40
TP53 P04637 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
HBB P68871 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GRM2 Q14416 1/20 0.39
PDE10A Q9Y233 2/20 0.39
MBNL1 Q9NR56 1/20 0.38
XDH P47989 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2A6 P11509 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL10028057 0.83 PDE4B (0.56) PDE4BALDH1A1KDM4EGAAMAPT
SCHEMBL10000575 0.76 ALDH1A1 (0.48) ALDH1A1KDM4EGAAMAPTKMT2A
Phenanthrene SCHEMBL28140059 0.76 ALDH1A1 (0.56) PDE4BALDH1A1KDM4EGAAMAPT
SCHEMBL10000557 0.76 KDM4E (0.42) PDE4BALDH1A1KDM4EGAAMAPT
SCHEMBL10000574 0.74 NPC1 (0.48) ALDH1A1KDM4EMEN1KMT2ATSHR
SCHEMBL4436697 0.74 ALDH1A1 (0.61) PDE4BALDH1A1KDM4EGAAMAPT
SCHEMBL17954592 0.72 PDE4B (0.53) PDE4BALDH1A1KDM4EGAAMAPT
SCHEMBL195645 0.72 ALDH1A1 (0.62) PDE4BALDH1A1KDM4EGAAMAPT
SCHEMBL5950664 0.71 TSHR (0.54) ALDH1A1KDM4EGAAMAPTMEN1
SCHEMBL20407126 0.71 ESR2 (0.51) ALDH1A1KDM4EGAAMAPTMEN1

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-20150340628-A1 METAL COMPLEX COMPOUND AND ORGANIC LIGHT EMITTING DIODE DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO LTD (KR) 2015-11-26 US disclosed
US-9096529-B2 Metal complex compound and organic light emitting diode device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2015-08-04 US disclosed
US-20120012824-A1 METAL COMPLEX COMPOUND AND ORGANIC LIGHT EMITTING DIODE DEVICE INCLUDING THE SAME SAMSUNG MOBILE DISPLAY CO., LTD. (KR) 2012-01-19 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-20150340628-A1 METAL COMPLEX COMPOUND AND ORGANIC LIGHT EMITTING DIODE DEVICE INCLUDING THE SAME AP1M1, MT-CO1, AP2M1 PDE4B 4842/4885ALDH1A1 122/4885KDM4E 3600/4885
US-20120012824-A1 METAL COMPLEX COMPOUND AND ORGANIC LIGHT EMITTING DIODE DEVICE INCLUDING THE SAME AP1M1, MT-CO1, AP2M1 PDE4B 4842/4885ALDH1A1 122/4885KDM4E 3600/4885

“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.