SCHEMBL18232832

SCHEMBL18232832

c1cc(-c2ccccc2-c2ccc3sc4cccnc4c3c2)cc(-n2c3ccccc3c3ccccc32)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.34
▸ ATM Q13315 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ LIMK1 P53667 1/20 0.33
▸ GRM5 P41594 1/20 0.33
▸ ALOX5 P09917 1/20 0.33
▸ PIK3CD O00329 1/20 0.32
▸ ACVR1 Q04771 2/20 0.31
▸ ACHE P22303 1/20 0.31
▸ PIM3 Q86V86 1/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ ESR1 P03372 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ AGTR1 P30556 1/20 0.30
▸ OPRM1 P35372 1/20 0.30
▸ OPRD1 P41143 1/20 0.30
▸ OPRK1 P41145 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
SCHEMBL18232870 0.94 LIMK1 (0.38) KDM4EATML3MBTL1LIMK1GRM5
SCHEMBL18232901 0.93 LIMK1 (0.37) KDM4EATML3MBTL1LIMK1ACHE
SCHEMBL18232855 0.93 LIMK1 (0.37) KDM4EATML3MBTL1LIMK1ACHE
SCHEMBL18232902 0.93 LIMK1 (0.37) KDM4EATML3MBTL1LIMK1ACHE
SCHEMBL18232927 0.93 LIMK1 (0.37) KDM4EATML3MBTL1LIMK1ACHE
SCHEMBL18232856 0.91 KDM4E (0.36) KDM4EATML3MBTL1LIMK1ALOX5
SCHEMBL15317324 0.90 LIMK1 (0.35) KDM4EATML3MBTL1LIMK1ACHE
SCHEMBL15317344 0.89 LIMK1 (0.34) KDM4EATML3MBTL1LIMK1PIM3
SCHEMBL15317384 0.88 KDM4E (0.38) KDM4EATML3MBTL1LIMK1PIM3
SCHEMBL18232839 0.88 LIMK1 (0.35) LIMK1ALOX5PIK3CDACVR1ACHE

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160336517-A1 Compound, Light-Emitting Element, Light-Emitting Device, Electronic Device, and Lighting Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2016-11-17 — — US disclosed
US-20160336517-A1 Compound, Light-Emitting Element, Light-Emitting Device, Electronic Device, and Lighting Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2016-11-17 — — 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 (1 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-20160336517-A1 Compound, Light-Emitting Element, Light-Emitting Device, Electronic Device, and Lighting Device NR2E3, LEF1, LAGE3 KDM4E 1317/4885ATM 4183/4885L3MBTL1 683/4885

“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.

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