SCHEMBL9890196

SCHEMBL9890196

c1cnc2c(c1)c1ncccc1n2-c1ccc2oc3c(ccc4c5cc(-n6c7cccnc7c7cccnc76)ccc5oc43)c2c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 7/20 0.33
PDE4A P27815 5/20 0.33
PDE4B Q07343 4/20 0.33
PDE4C Q08493 4/20 0.33
NCOA1 Q15788 1/20 0.33
MAPT P10636 3/20 0.33
TSHR P16473 3/20 0.33
LMNA P02545 2/20 0.33
NPC1 O15118 2/20 0.32
MEN1 O00255 2/20 0.32
HTT P42858 2/20 0.32
KMT2A Q03164 2/20 0.32
USP2 O75604 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
LIMK1 P53667 1/20 0.31
HPGD P15428 3/20 0.31
HSD17B10 Q99714 2/20 0.31
ALDH1A1 P00352 1/20 0.31
KDM4E B2RXH2 2/20 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
SCHEMBL9890452 0.93 PDE4D (0.32) PDE4DPDE4APDE4BPDE4CNCOA1
SCHEMBL13529130 0.91 NPC1 (0.35) PDE4DPDE4APDE4BPDE4CNCOA1
SCHEMBL9890380 0.90 NPC1 (0.35) PDE4DPDE4APDE4BPDE4CNCOA1
SCHEMBL9890187 0.88 NCOA1 (0.37) PDE4DPDE4APDE4BPDE4CNCOA1
SCHEMBL9890190 0.88 NCOA1 (0.37) PDE4DNCOA1MAPTTSHRLMNA
SCHEMBL9890585 0.88 PDE4D (0.35) PDE4DPDE4APDE4BPDE4CNCOA1
SCHEMBL9890201 0.88 NCOA1 (0.34) PDE4DNCOA1MAPTTSHRLMNA
SCHEMBL9890195 0.86 NCOA1 (0.38) PDE4DPDE4APDE4BPDE4CNCOA1
SCHEMBL9890133 0.82 NPC1 (0.30) MAPTNPC1
SCHEMBL9890197 0.81 DDB1 (0.36) PDE4ANCOA1MAPTNPC1RAB9A

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 6 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-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.