SCHEMBL9890134

SCHEMBL9890134

c1cnc2c3ncccc3n(-c3ccc4oc5cc6c(cc5c4c3)oc3ccc(-n4c5cccnc5c5ncccc54)cc36)c2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.36
MAPT P10636 2/20 0.36
PDE4D Q08499 4/20 0.34
NCOA1 Q15788 1/20 0.32
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31
KDM4E B2RXH2 3/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
HSP90AA1 P07900 2/20 0.31
USP2 O75604 1/20 0.31
TP53 P04637 1/20 0.31
HTT P42858 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
GABRP O00591 1/20 0.31
GABRD O14764 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRB1 P18505 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 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 0.97 MAPT (0.38) NPC1MAPTPDE4DNCOA1MEN1
SCHEMBL9890395 0.95 NPC1 (0.35) NPC1MAPTPDE4DNCOA1MEN1
SCHEMBL9890117 0.92 MAPT (0.39) NPC1MAPTPDE4DNCOA1MEN1
SCHEMBL9890598 0.91 PDE4D (0.36) NPC1MAPTPDE4DNCOA1MEN1
SCHEMBL9890201 0.90 NCOA1 (0.34) NPC1MAPTPDE4DNCOA1MEN1
SCHEMBL4570442 0.88 MAPT (0.40) NPC1MAPTPDE4DNCOA1MEN1
SCHEMBL9890376 0.88 MAPT (0.38) NPC1MAPTPDE4DNCOA1MEN1
SCHEMBL13529130 0.88 NPC1 (0.35) NPC1MAPTPDE4DNCOA1MEN1
SCHEMBL9890449 0.88 PDE4D (0.33) NPC1MAPTPDE4DNCOA1MEN1
SCHEMBL9890131 0.87 CYP1A2 (0.31) NPC1MAPTPDE4D

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

“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.