SCHEMBL9890249

SCHEMBL9890249

c1ccc(-c2cccc(-c3ccc4sc5c(ccc6c7cc(-n8c9ccccc9c9ccccc98)ccc7sc65)c4c3)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 2/20 0.40
KDM4E B2RXH2 1/20 0.39
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HDAC4 P56524 1/20 0.34
ALOX5 P09917 1/20 0.34
PIM3 Q86V86 3/20 0.34
PIM1 P11309 3/20 0.33
PIM2 Q9P1W9 3/20 0.33
TSPO P30536 1/20 0.32
F9 P00740 2/20 0.32
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
TNKS O95271 1/20 0.32
TNKS2 Q9H2K2 1/20 0.32
MAPT P10636 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
ROCK1 Q13464 1/20 0.31
EDNRB P24530 1/20 0.31
EDNRA P25101 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
SCHEMBL9890499 0.93 LIMK1 (0.37) LIMK1KDM4EATML3MBTL1HDAC4
SCHEMBL9890258 0.93 L3MBTL1 (0.44) LIMK1KDM4EATML3MBTL1HDAC4
SCHEMBL17166663 0.92 L3MBTL1 (0.43) LIMK1KDM4EATML3MBTL1HDAC4
SCHEMBL17228706 0.92 L3MBTL1 (0.43) LIMK1KDM4EATML3MBTL1HDAC4
SCHEMBL17228717 0.92 L3MBTL1 (0.43) LIMK1KDM4EATML3MBTL1HDAC4
SCHEMBL13529139 0.90 LIMK1 (0.37) LIMK1KDM4EATML3MBTL1HDAC4
SCHEMBL17057171 0.90 ALOX5 (0.46) LIMK1KDM4EATML3MBTL1HDAC4
SCHEMBL9890248 0.90 L3MBTL1 (0.41) LIMK1KDM4EATML3MBTL1HDAC4
SCHEMBL14867940 0.90 KDM4E (0.41) LIMK1KDM4EATML3MBTL1HDAC4
SCHEMBL17228735 0.90 KDM4E (0.41) LIMK1KDM4EATML3MBTL1HDAC4

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-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-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 LIMK1 767/4885KDM4E 990/4885ATM 3103/4885
US-20100012931-A1 POLYCYCLIC COMPOUNDS AND ORGANIC ELECTROLUMINESCENCE DEVICE EMPLOYING THE SAME KCNC1, EED, BMI1 LIMK1 767/4885KDM4E 990/4885ATM 3103/4885

“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.