SCHEMBL9890571

SCHEMBL9890571

c1cnc2c(c1)c1cnccc1n2-c1ccc2oc3ccc4oc5ccc(-n6c7ccncc7c7cccnc76)cc5c4c3c2c1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.37
CRBN Q96SW2 1/20 0.37
MAOA P21397 4/20 0.32
MAOB P27338 4/20 0.32
NCOA1 Q15788 1/20 0.32
ACHE P22303 1/20 0.32
NPC1 O15118 2/20 0.31
MAPT P10636 2/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
RAB9A P51151 1/20 0.31
HSD17B10 Q99714 1/20 0.31
PDE4A P27815 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
SCHEMBL9890119 0.93 DDB1 (0.37) DDB1CRBNMAOAMAOBNCOA1
SCHEMBL9890447 0.92 DDB1 (0.34) DDB1CRBNNCOA1NPC1MAPT
SCHEMBL9890379 0.92 DDB1 (0.36) DDB1CRBNMAOAMAOBNCOA1
SCHEMBL9890570 0.90 CDK4 (0.33) DDB1CRBNNPC1MAPTKDM4E
SCHEMBL9890575 0.89 CDK4 (0.33) DDB1CRBNNPC1MAPTKDM4E
SCHEMBL9890197 0.89 DDB1 (0.36) DDB1CRBNMAOAMAOBNCOA1
SCHEMBL9890583 0.87 NPC1 (0.36) NCOA1NPC1MAPTKDM4EALDH1A1
SCHEMBL9890590 0.86 MAOA (0.33) MAOAMAOBACHE
SCHEMBL9890562 0.86 MAPT (0.37) NCOA1NPC1MAPTKDM4EALDH1A1
SCHEMBL9890569 0.85 MAOA (0.43) DDB1CRBNMAOAMAOBACHE

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 DDB1 1454/4885CRBN 1944/4885MAOA 455/4885
US-20100012931-A1 POLYCYCLIC COMPOUNDS AND ORGANIC ELECTROLUMINESCENCE DEVICE EMPLOYING THE SAME KCNC1, EED, BMI1 DDB1 1454/4885CRBN 1944/4885MAOA 455/4885

“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.