SCHEMBL440605

SCHEMBL440605

c1ccc(-c2ccc3sc4c(-c5cccc(C6(c7cccc(-c8cc(-c9ccccc9)cc9c8sc8ccc(-c%10ccccc%10)cc89)c7)c7ccccc7-c7ccccc76)c5)cc(-c5ccccc5)cc4c3c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 2/20 0.38
ALOX5 P09917 1/20 0.37
PIM3 Q86V86 2/20 0.34
PDK2 Q15119 1/20 0.33
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
PIM1 P11309 2/20 0.32
PIM2 Q9P1W9 2/20 0.32
MEN1 O00255 2/20 0.31
LMNA P02545 2/20 0.31
MAPT P10636 2/20 0.31
KMT2A Q03164 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
KDM4E B2RXH2 1/20 0.31
OPRK1 P41145 1/20 0.31
F9 P00740 1/20 0.30
APAF1 O14727 1/20 0.30
NPC1 O15118 1/20 0.30
THRB P10828 1/20 0.30
XBP1 P17861 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
SCHEMBL440699 0.99 LIMK1 (0.37) LIMK1ALOX5PIM3PDK2ESR1
SCHEMBL440615 0.98 LIMK1 (0.36) LIMK1ALOX5PIM3PDK2ESR1
SCHEMBL437635 0.92 LIMK1 (0.37) LIMK1ALOX5PIM3PDK2ESR1
SCHEMBL437639 0.92 ALOX5 (0.36) LIMK1ALOX5ESR1ESR2MEN1
SCHEMBL283913 0.92 LIMK1 (0.38) LIMK1ALOX5PIM3PDK2ESR1
SCHEMBL29360070 0.92 LIMK1 (0.38) LIMK1ALOX5PIM3PDK2ESR1
SCHEMBL438625 0.90 LIMK1 (0.39) LIMK1ALOX5PIM3PDK2ESR1
SCHEMBL440754 0.88 CHRNA1 (0.36) LIMK1ALOX5MEN1LMNAMAPT
SCHEMBL440557 0.88 MEN1 (0.36) LIMK1PDK2ESR1ESR2MEN1
SCHEMBL438769 0.87 MEN1 (0.37) LIMK1ALOX5PIM3ESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9564597-B2 Fluorene compound, light-emitting element, light-emitting device, electronic device, lighting device, and organic compound SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2017-02-07 US disclosed
US-9564597-B2 Fluorene compound, light-emitting element, light-emitting device, electronic device, lighting device, and organic compound SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2017-02-07 US disclosed
US-20150243899-A1 Fluorene Compound, Light-Emitting Element, Light-Emitting Device, Electronic Device, Lighting Device, and Organic Compound SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2015-08-27 US disclosed
US-20150243899-A1 Fluorene Compound, Light-Emitting Element, Light-Emitting Device, Electronic Device, Lighting Device, and Organic Compound SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2015-08-27 US disclosed
US-8993127-B2 Fluorene compound, light-emitting element, light-emitting device, electronic device, lighting device, and organic compound SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2015-03-31 US disclosed
US-8993127-B2 Fluorene compound, light-emitting element, light-emitting device, electronic device, lighting device, and organic compound SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2015-03-31 US disclosed
EP-2428512-B1 Fluorene compound, light-emitting element, light-emitting device, electronic device and lighting device SEMICONDUCTOR ENERGY LAB (JP) 2014-10-22 EP disclosed
US-20120061714-A1 Fluorene Compound, Light-Emitting Element, Light-Emitting Device, Electronic Device, Lighting Device, and Organic Compound SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2012-03-15 US disclosed
US-20120061714-A1 Fluorene Compound, Light-Emitting Element, Light-Emitting Device, Electronic Device, Lighting Device, and Organic Compound SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2012-03-15 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-20150243899-A1 Fluorene Compound, Light-Emitting Element, Light-Emitting Device, Electronic Device, Lighting Device, and Organic Compound CYP1A1, CYP1B1, DRD1 LIMK1 1081/4885ALOX5 1299/4885PIM3 4762/4885
US-20120061714-A1 Fluorene Compound, Light-Emitting Element, Light-Emitting Device, Electronic Device, Lighting Device, and Organic Compound CYP1A1, CYP1B1, DRD1 LIMK1 1081/4885ALOX5 1299/4885PIM3 4762/4885

“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.