SCHEMBL440100

SCHEMBL440100

c1ccc(-c2cccc(-c3cccc4c3oc3c(-c5cccc(C6(c7ccccc7)c7ccccc7-c7ccccc76)c5)cccc34)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 11/20 0.41
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
ALOX5 P09917 1/20 0.38
KDM4E B2RXH2 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
LMNA P02545 2/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
OPRK1 P41145 1/20 0.37
KMT2A Q03164 1/20 0.37
PDK2 Q15119 1/20 0.34
ALDH1A1 P00352 3/20 0.33
PIK3CD O00329 2/20 0.33
PIK3CA P42336 2/20 0.33
PIK3CB P42338 2/20 0.33
PIK3CG P48736 2/20 0.33
BRD4 O60885 2/20 0.33
BRD2 P25440 2/20 0.33
BRD3 Q15059 2/20 0.33

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
SCHEMBL437601 0.94 ESR1 (0.40) PRKDCESR1ESR2ALOX5KDM4E
SCHEMBL437648 0.93 PRKDC (0.40) PRKDCESR1ESR2ALOX5KDM4E
SCHEMBL440085 0.93 ESR1 (0.41) PRKDCESR1ESR2ALOX5KDM4E
SCHEMBL29362793 0.91 ALOX5 (0.50) PRKDCESR1ESR2ALOX5KDM4E
SCHEMBL282693 0.91 ALOX5 (0.50) PRKDCESR1ESR2ALOX5KDM4E
SCHEMBL440102 0.91 PRKDC (0.39) PRKDCESR1ESR2ALOX5KDM4E
SCHEMBL440729 0.88 ALOX5 (0.52) PRKDCESR1ESR2ALOX5KDM4E
SCHEMBL440070 0.86 ALOX5 (0.48) PRKDCESR1ESR2ALOX5KDM4E
SCHEMBL440035 0.86 KDM4E (0.45) PRKDCESR1ESR2ALOX5KDM4E
SCHEMBL440063 0.85 ESR1 (0.38) PRKDCESR1ESR2KDM4ESMN1; 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 PRKDC 4788/4885ESR1 138/4885ESR2 90/4885
US-20120061714-A1 Fluorene Compound, Light-Emitting Element, Light-Emitting Device, Electronic Device, Lighting Device, and Organic Compound CYP1A1, CYP1B1, DRD1 PRKDC 4788/4885ESR1 138/4885ESR2 90/4885

“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.