SCHEMBL440696

SCHEMBL440696

c1ccc(-c2cc(-c3ccccc3)c3sc4c(-c5ccc(C6(c7ccccc7)c7ccccc7-c7ccccc76)cc5)cc(-c5ccccc5)cc4c3c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
OPRK1 P41145 1/20 0.41
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
PDK2 Q15119 1/20 0.35
POLB P06746 1/20 0.34
LIMK1 P53667 1/20 0.32
APAF1 O14727 1/20 0.31
NPC1 O15118 1/20 0.31
THRB P10828 1/20 0.31
XBP1 P17861 1/20 0.31
PTBP1 P26599 1/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 1/20 0.31
GALK1 P51570 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
SCHEMBL440557 0.92 MEN1 (0.36) MEN1KMT2ALMNAMAPTSMN1; SMN2
SCHEMBL283913 0.91 LIMK1 (0.38) MEN1KMT2ALMNAMAPTSMN1; SMN2
SCHEMBL29360070 0.91 LIMK1 (0.38) MEN1KMT2ALMNAMAPTSMN1; SMN2
SCHEMBL438625 0.90 LIMK1 (0.39) MEN1KMT2ALMNAMAPTSMN1; SMN2
SCHEMBL437635 0.89 LIMK1 (0.37) MEN1KMT2ALMNAMAPTSMN1; SMN2
SCHEMBL438769 0.86 MEN1 (0.37) MEN1KMT2ALMNAMAPTSMN1; SMN2
SCHEMBL282544 0.84 MEN1 (0.45) MEN1KMT2ALMNAMAPTSMN1; SMN2
SCHEMBL29374067 0.84 MEN1 (0.45) MEN1KMT2ALMNAMAPTSMN1; SMN2
SCHEMBL440699 0.84 LIMK1 (0.37) MEN1KMT2ALMNAMAPTSMN1; SMN2
SCHEMBL438782 0.84 ALOX5 (0.40) MEN1KMT2ALMNAMAPTSMN1; SMN2

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 MEN1 2099/4885KMT2A 2362/4885LMNA 3242/4885
US-20120061714-A1 Fluorene Compound, Light-Emitting Element, Light-Emitting Device, Electronic Device, Lighting Device, and Organic Compound CYP1A1, CYP1B1, DRD1 MEN1 2099/4885KMT2A 2362/4885LMNA 3242/4885

“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.