SCHEMBL9890449

SCHEMBL9890449

c1cnc2c3ncccc3n(-c3ccc4oc5c(ccc6oc7ccc(-n8c9cccnc9c9ncccc98)cc7c65)c4c3)c2c1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 2/20 0.33
MAPT P10636 2/20 0.33
NPC1 O15118 2/20 0.33
NCOA1 Q15788 1/20 0.31
LMNA P02545 2/20 0.31
TSHR P16473 1/20 0.31
MEN1 O00255 1/20 0.30
USP2 O75604 1/20 0.30
HTT P42858 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 1/20 0.30
AHR P35869 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL9890446 0.93 MAPT (0.35) PDE4DMAPTNPC1NCOA1LMNA
SCHEMBL9890201 0.92 NCOA1 (0.34) PDE4DMAPTNPC1NCOA1LMNA
SCHEMBL9890598 0.90 PDE4D (0.36) PDE4DMAPTNPC1NCOA1LMNA
SCHEMBL10038489 0.90 MAPT (0.38) PDE4DMAPTNPC1NCOA1LMNA
SCHEMBL9890452 0.89 PDE4D (0.32) PDE4DMAPTNPC1NCOA1LMNA
SCHEMBL9890456 0.89
SCHEMBL9890448 0.89
SCHEMBL9890134 0.88 NPC1 (0.36) PDE4DMAPTNPC1NCOA1MEN1
SCHEMBL9890395 0.86 NPC1 (0.35) PDE4DMAPTNPC1NCOA1MEN1
SCHEMBL13529151 0.85

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-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-20120138915-A1 ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2012-06-07 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-20130020563-A1 POLYCYCLIC COMPOUNDS AND ORGANIC ELECTROLUMINESCENCE DEVICE EMPLOYING THE SAME KCNC1, EED, BMI1 PDE4D 3820/4885MAPT 1303/4885NPC1 2467/4885

“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.