SCHEMBL9890598

SCHEMBL9890598

c1cnc2c3ncccc3n(-c3ccc4oc5ccc6oc7ccc(-n8c9cccnc9c9ncccc98)cc7c6c5c4c3)c2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 6/20 0.36
NPC1 O15118 3/20 0.33
MAPT P10636 2/20 0.33
NCOA1 Q15788 1/20 0.32
KDM4E B2RXH2 4/20 0.31
ALDH1A1 P00352 3/20 0.31
ADORA3 P0DMS8 1/20 0.31
ADORA2A P29274 1/20 0.31
GAA P10253 1/20 0.31
HSP90AA1 P07900 3/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
TP53 P04637 2/20 0.31
HTT P42858 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
AHR P35869 1/20 0.31
USP2 O75604 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
GABRP O00591 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
SCHEMBL10038489 0.94 MAPT (0.38) PDE4DNPC1MAPTNCOA1KDM4E
SCHEMBL9890561 0.92 MAPT (0.36) PDE4DNPC1MAPTNCOA1KDM4E
SCHEMBL9890134 0.91 NPC1 (0.36) PDE4DNPC1MAPTNCOA1KDM4E
SCHEMBL9890449 0.90 PDE4D (0.33) PDE4DNPC1MAPTNCOA1MEN1
SCHEMBL9890395 0.90 NPC1 (0.35) PDE4DNPC1MAPTNCOA1KDM4E
SCHEMBL9890585 0.88 PDE4D (0.35) PDE4DNPC1MAPTNCOA1KDM4E
SCHEMBL9890576 0.87 PDE4D (0.31) PDE4DCYP1A2
SCHEMBL9890588 0.87 CDK4 (0.32) PDE4D
SCHEMBL9890201 0.87 NCOA1 (0.34) PDE4DNPC1MAPTNCOA1KDM4E
SCHEMBL4570442 0.85 MAPT (0.40) PDE4DNPC1MAPTNCOA1KDM4E

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 3820/4885NPC1 2467/4885MAPT 1303/4885
US-20100012931-A1 POLYCYCLIC COMPOUNDS AND ORGANIC ELECTROLUMINESCENCE DEVICE EMPLOYING THE SAME KCNC1, EED, BMI1 PDE4D 3820/4885NPC1 2467/4885MAPT 1303/4885

“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.