SCHEMBL9890201

SCHEMBL9890201

c1cnc2c3ncccc3n(-c3ccc4oc5c(ccc6c7cc(-n8c9cccnc9c9ncccc98)ccc7oc65)c4c3)c2c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCOA1 Q15788 1/20 0.34
PDE4D Q08499 3/20 0.34
LMNA P02545 3/20 0.33
MAPT P10636 3/20 0.33
TSHR P16473 3/20 0.33
KMT2A Q03164 6/20 0.33
MEN1 O00255 4/20 0.33
HTT P42858 3/20 0.33
NPC1 O15118 2/20 0.33
USP2 O75604 2/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
AHR P35869 1/20 0.33
ALDH1A1 P00352 2/20 0.32
LIMK1 P53667 1/20 0.32
GPR55 Q9Y2T6 1/20 0.32
HPGD P15428 2/20 0.32
HSD17B10 Q99714 2/20 0.32
KDM4E B2RXH2 2/20 0.32
TP53 P04637 2/20 0.32

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 0.92 MAPT (0.38) NCOA1PDE4DLMNAMAPTTSHR
SCHEMBL9890449 0.92 PDE4D (0.33) NCOA1PDE4DLMNAMAPTTSHR
SCHEMBL9890190 0.92 NCOA1 (0.37) NCOA1PDE4DLMNAMAPTTSHR
SCHEMBL9890134 0.90 NPC1 (0.36) NCOA1PDE4DMAPTKMT2AMEN1
SCHEMBL9890395 0.88 NPC1 (0.35) NCOA1PDE4DMAPTKMT2AMEN1
SCHEMBL12925817 0.88 PDE4D (0.33) NCOA1PDE4DLMNAMAPTTSHR
SCHEMBL9890196 0.88 PDE4D (0.33) NCOA1PDE4DLMNAMAPTTSHR
SCHEMBL9890200 0.87 CDK4 (0.31)
SCHEMBL9890199 0.87 NCOA1 (0.32) NCOA1
SCHEMBL9890598 0.87 PDE4D (0.36) NCOA1PDE4DLMNAMAPTKMT2A

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 NCOA1 1720/4885PDE4D 3820/4885LMNA 693/4885
US-20100012931-A1 POLYCYCLIC COMPOUNDS AND ORGANIC ELECTROLUMINESCENCE DEVICE EMPLOYING THE SAME KCNC1, EED, BMI1 NCOA1 1720/4885PDE4D 3820/4885LMNA 693/4885

“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.