SCHEMBL9890499

SCHEMBL9890499

c1ccc(-c2cccc(-c3ccc4sc5ccc6c7cc(-n8c9ccccc9c9ccccc98)ccc7sc6c5c4c3)c2)cc1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 2/20 0.37
KDM4E B2RXH2 1/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HDAC4 P56524 1/20 0.32
PIM3 Q86V86 2/20 0.32
ALOX5 P09917 1/20 0.32
PIM1 P11309 1/20 0.31
PIM2 Q9P1W9 1/20 0.31
TSPO P30536 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
SCHEMBL9890496 0.93 L3MBTL1 (0.40) LIMK1KDM4EATML3MBTL1HDAC4
SCHEMBL9890249 0.93 LIMK1 (0.40) LIMK1KDM4EATML3MBTL1HDAC4
SCHEMBL24264841 0.92 LIMK1 (0.34) LIMK1KDM4EATML3MBTL1PIM3
SCHEMBL9890615 0.92 KDM4E (0.40) LIMK1KDM4EATML3MBTL1HDAC4
SCHEMBL9890497 0.90 LIMK1 (0.36) LIMK1KDM4EATML3MBTL1
SCHEMBL17228717 0.90 L3MBTL1 (0.43) LIMK1KDM4EATML3MBTL1HDAC4
SCHEMBL17228706 0.90 L3MBTL1 (0.43) LIMK1KDM4EATML3MBTL1HDAC4
SCHEMBL17166663 0.90 L3MBTL1 (0.43) LIMK1KDM4EATML3MBTL1HDAC4
SCHEMBL9890502 0.89 KDM4E (0.41) KDM4EATML3MBTL1
SCHEMBL16482117 0.89 LIMK1 (0.36) 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 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 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.