SCHEMBL9890329

SCHEMBL9890329

c1cc(-n2c3cccnc3c3ncccc32)c2oc3cc4c(cc3c2c1)oc1c(-n2c3cccnc3c3ncccc32)cccc14

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 6/20 0.36
CYP3A4 P08684 2/20 0.35
CYP1A2 P05177 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
CYP2C19 P33261 1/20 0.35
PKM P14618 1/20 0.33
HSP90AA1 P07900 4/20 0.33
L3MBTL1 Q9Y468 3/20 0.33
NPC1 O15118 1/20 0.33
KDM4E B2RXH2 4/20 0.32
MAPT P10636 4/20 0.32
NPSR1 Q6W5P4 1/20 0.32
LMNA P02545 3/20 0.31
CCR1 P32246 2/20 0.31
CCR8 P51685 2/20 0.31
SLC6A2 P23975 2/20 0.31
HTT P42858 2/20 0.31
MPI P34949 1/20 0.31
BRD4 O60885 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
SCHEMBL9890306 0.93 CYP1A2 (0.36) PDE4DCYP3A4CYP1A2GAAHPGD
SCHEMBL9890308 0.89 PDE4D (0.33) PDE4DCYP3A4CYP1A2GAAHPGD
SCHEMBL12925817 0.88 PDE4D (0.33) PDE4DHPGDHSP90AA1NPC1KDM4E
SCHEMBL9890309 0.87 MAOA (0.32) PDE4DCYP3A4CYP1A2GAAHPGD
SCHEMBL9890312 0.87 PDPK1 (0.33) PDE4DCYP3A4CYP1A2GAAHPGD
SCHEMBL5028248 0.84 ALOX5 (0.39) PDE4DGAAHPGDNPC1KDM4E
SCHEMBL2604856 0.83 ALDH1A1 (0.41) CYP1A2CYP2C19L3MBTL1KDM4ETSHR
SCHEMBL5028376 0.82 TSHR (0.33) PDE4DCYP3A4CYP1A2GAAHPGD
SCHEMBL9890325 0.82 KDM4E (0.33) PDE4DCYP3A4CYP1A2GAAHPGD
SCHEMBL9890314 0.82 KDM4E (0.32) CYP3A4CYP1A2GAAHPGDCYP2C19

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 3820/4885CYP3A4 1516/4885CYP1A2 1931/4885
US-20100012931-A1 POLYCYCLIC COMPOUNDS AND ORGANIC ELECTROLUMINESCENCE DEVICE EMPLOYING THE SAME KCNC1, EED, BMI1 PDE4D 3820/4885CYP3A4 1516/4885CYP1A2 1931/4885

“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.