SCHEMBL9890446

SCHEMBL9890446

c1ccc2c(c1)c1ncccc1n2-c1ccc2oc3c(ccc4oc5ccc(-n6c7ccccc7c7ncccc76)cc5c43)c2c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.35
NPC1 O15118 3/20 0.35
NCOA1 Q15788 1/20 0.34
TSHR P16473 4/20 0.33
LMNA P02545 2/20 0.33
KMT2A Q03164 6/20 0.33
MEN1 O00255 5/20 0.33
PDE4D Q08499 2/20 0.33
HTT P42858 2/20 0.33
RAB9A P51151 2/20 0.33
USP2 O75604 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
LIMK1 P53667 1/20 0.32
ALDH1A1 P00352 5/20 0.32
KDM4E B2RXH2 4/20 0.32
HSD17B10 Q99714 3/20 0.32
HPGD P15428 3/20 0.32
HCRTR1 O43613 1/20 0.32
TP53 P04637 1/20 0.32
MAPK1 P28482 1/20 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
SCHEMBL9890449 0.93 PDE4D (0.33) MAPTNPC1NCOA1TSHRLMNA
SCHEMBL9890190 0.93 NCOA1 (0.37) MAPTNPC1NCOA1TSHRLMNA
SCHEMBL9890561 0.91 MAPT (0.36) MAPTNPC1NCOA1TSHRLMNA
SCHEMBL4570442 0.91 MAPT (0.40) MAPTNPC1NCOA1TSHRLMNA
SCHEMBL9890452 0.89 PDE4D (0.32) MAPTNPC1NCOA1TSHRLMNA
SCHEMBL16625755 0.89 MAPT (0.39) MAPTNPC1NCOA1TSHRLMNA
SCHEMBL9890117 0.89 MAPT (0.39) MAPTNPC1NCOA1TSHRLMNA
SCHEMBL9890448 0.89
SCHEMBL9890456 0.89
SCHEMBL9890376 0.88 MAPT (0.38) MAPTNPC1NCOA1TSHRLMNA

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 MAPT 1303/4885NPC1 2467/4885NCOA1 1720/4885
US-20100012931-A1 POLYCYCLIC COMPOUNDS AND ORGANIC ELECTROLUMINESCENCE DEVICE EMPLOYING THE SAME KCNC1, EED, BMI1 MAPT 1303/4885NPC1 2467/4885NCOA1 1720/4885

“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.