SCHEMBL438639

SCHEMBL438639

c1cc(-c2cccc3c2oc2ccccc23)cc(C2(c3cccc(-c4cccc5c4oc4ccccc45)c3)c3ccccc3-c3ccccc32)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.55
GGPS1 O95749 1/20 0.46
PTGES2 Q9H7Z7 1/20 0.43
PRKDC P78527 7/20 0.41
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38
ATM Q13315 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
OPRK1 P41145 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
AHR P35869 1/20 0.35
PIK3CD O00329 1/20 0.34
PIK3CB P42338 1/20 0.34
CYP2C19 P33261 1/20 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
SCHEMBL440729 0.97 ALOX5 (0.52) ALOX5GGPS1PTGES2PRKDCESR1
SCHEMBL371391 0.95 ALOX5 (0.53) ALOX5GGPS1PTGES2PRKDCESR1
SCHEMBL282693 0.95 ALOX5 (0.50) ALOX5GGPS1PTGES2PRKDCESR1
SCHEMBL29362793 0.95 ALOX5 (0.50) ALOX5GGPS1PTGES2PRKDCESR1
SCHEMBL438873 0.93 ALOX5 (0.48) ALOX5GGPS1PTGES2PRKDCESR1
SCHEMBL438643 0.92 ALOX5 (0.47) ALOX5GGPS1PTGES2PRKDCESR1
SCHEMBL16182141 0.92 ALOX5 (0.47) ALOX5GGPS1PTGES2PRKDCESR1
SCHEMBL282467 0.91 ALOX5 (0.49) ALOX5GGPS1PTGES2PRKDCESR1
SCHEMBL440070 0.90 ALOX5 (0.48) ALOX5GGPS1PTGES2PRKDCESR1
SCHEMBL440085 0.89 ESR1 (0.41) ALOX5GGPS1PTGES2PRKDCESR1

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 ALOX5 1299/4885GGPS1 1049/4885PTGES2 1411/4885
US-20120061714-A1 Fluorene Compound, Light-Emitting Element, Light-Emitting Device, Electronic Device, Lighting Device, and Organic Compound CYP1A1, CYP1B1, DRD1 ALOX5 1299/4885GGPS1 1049/4885PTGES2 1411/4885

“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.