SCHEMBL440070

SCHEMBL440070

c1ccc(-c2cccc(C3(c4ccc(-c5cccc6c5oc5ccccc56)cc4)c4ccccc4-c4ccccc43)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.48
GGPS1 O95749 1/20 0.39
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
PRKDC P78527 7/20 0.37
PTGES2 Q9H7Z7 1/20 0.37
KDM4E B2RXH2 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
OPRK1 P41145 1/20 0.36
KMT2A Q03164 1/20 0.36
PLA2G2A P14555 3/20 0.35
PLA2G4A P47712 3/20 0.35
PLA2G10 O15496 1/20 0.33
PDK2 Q15119 1/20 0.33
CDC14B O60729 1/20 0.33
CDC14A Q9UNH5 1/20 0.33
PRMT5 O14744 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
SCHEMBL371391 0.95 ALOX5 (0.53) ALOX5GGPS1ESR1ESR2PRKDC
SCHEMBL438612 0.94 ALOX5 (0.50) ALOX5GGPS1ESR1ESR2PRKDC
SCHEMBL440064 0.94 ALOX5 (0.50) ALOX5GGPS1ESR1ESR2PRKDC
SCHEMBL23366479 0.93 ALOX5 (0.46) ALOX5GGPS1PRKDCPTGES2KDM4E
SCHEMBL282693 0.93 ALOX5 (0.50) ALOX5GGPS1ESR1ESR2PRKDC
SCHEMBL29362793 0.93 ALOX5 (0.50) ALOX5GGPS1ESR1ESR2PRKDC
SCHEMBL440729 0.93 ALOX5 (0.52) ALOX5GGPS1ESR1ESR2PRKDC
SCHEMBL371292 0.93 ALOX5 (0.51) ALOX5GGPS1ESR1ESR2PRKDC
SCHEMBL29572728 0.93 ALOX5 (0.51) ALOX5GGPS1ESR1ESR2PRKDC
SCHEMBL438618 0.93 ALOX5 (0.51) ALOX5GGPS1ESR1ESR2PRKDC

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 1049/4885ESR1 138/4885
US-20120061714-A1 Fluorene Compound, Light-Emitting Element, Light-Emitting Device, Electronic Device, Lighting Device, and Organic Compound CYP1A1, CYP1B1, DRD1 ALOX5 1299/4885GGPS1 1049/4885ESR1 138/4885

“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.