SCHEMBL9890585

SCHEMBL9890585

c1cnc2c(c1)c1ncccc1n2-c1ccc2oc3ccc4oc5ccc(-n6c7cccnc7c7cccnc76)cc5c4c3c2c1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 9/20 0.35
PDE4A P27815 5/20 0.34
PDE4B Q07343 4/20 0.34
PDE4C Q08493 4/20 0.34
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
PDE1A P54750 1/20 0.32
PDE1B Q01064 1/20 0.32
HPGD P15428 1/20 0.32
FEN1 P39748 1/20 0.32
NCOA1 Q15788 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MPI P34949 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
CYP2C19 P33261 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
SCHEMBL13529130 0.92 NPC1 (0.35) PDE4DPDE4APDE4BPDE4CNPC1
SCHEMBL9890452 0.92 PDE4D (0.32) PDE4DPDE4APDE4BPDE4CNPC1
SCHEMBL9890380 0.91 NPC1 (0.35) PDE4DPDE4APDE4BPDE4CNPC1
SCHEMBL9890196 0.88 PDE4D (0.33) PDE4DPDE4APDE4BPDE4CNPC1
SCHEMBL9890561 0.88 MAPT (0.36) PDE4DNPC1MAPTNCOA1KDM4E
SCHEMBL9890583 0.88 NPC1 (0.36) PDE4DPDE4APDE4BPDE4CNPC1
SCHEMBL9890598 0.88 PDE4D (0.36) PDE4DNPC1MAPTNCOA1KDM4E
SCHEMBL9890562 0.86 MAPT (0.37) PDE4DPDE4APDE4BPDE4CNPC1
SCHEMBL9890133 0.83 NPC1 (0.30) NPC1MAPT
SCHEMBL4570442 0.82 MAPT (0.40) PDE4DNPC1MAPTHPGDNCOA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130020563-A1 POLYCYCLIC COMPOUNDS AND ORGANIC ELECTROLUMINESCENCE DEVICE EMPLOYING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2013-01-24 US disclosed
US-20130020563-A1 POLYCYCLIC COMPOUNDS AND ORGANIC ELECTROLUMINESCENCE DEVICE EMPLOYING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2013-01-24 US disclosed
US-8318323-B2 Polycyclic compounds and organic electroluminescence device employing the same IDEMITSU KOSAN CO., LTD. (JP) 2012-11-27 US disclosed
US-8318323-B2 Polycyclic compounds and organic electroluminescence device employing the same IDEMITSU KOSAN CO., LTD. (JP) 2012-11-27 US disclosed
US-20120138915-A1 ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2012-06-07 US disclosed
US-20120138915-A1 ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2012-06-07 US disclosed
US-20100012931-A1 POLYCYCLIC COMPOUNDS AND ORGANIC ELECTROLUMINESCENCE DEVICE EMPLOYING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2010-01-21 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-20130020563-A1 POLYCYCLIC COMPOUNDS AND ORGANIC ELECTROLUMINESCENCE DEVICE EMPLOYING THE SAME KCNC1, EED, BMI1 PDE4D 3820/4885PDE4A 4135/4885PDE4B 3543/4885
US-20100012931-A1 POLYCYCLIC COMPOUNDS AND ORGANIC ELECTROLUMINESCENCE DEVICE EMPLOYING THE SAME KCNC1, EED, BMI1 PDE4D 3820/4885PDE4A 4135/4885PDE4B 3543/4885

“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.