SCHEMBL440063

SCHEMBL440063

c1ccc(-c2cc(-c3ccccc3)c3oc4c(-c5cccc(C6(c7ccccc7)c7ccccc7-c7ccccc76)c5)cc(-c5ccccc5)cc4c3c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
KDM4E B2RXH2 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
LMNA P02545 2/20 0.36
MAPT P10636 1/20 0.36
OPRK1 P41145 1/20 0.36
PRKDC P78527 4/20 0.31
PDK2 Q15119 1/20 0.31
ALDH1A1 P00352 3/20 0.30
PIK3CD O00329 2/20 0.30
PIK3CA P42336 2/20 0.30
PIK3CB P42338 2/20 0.30
PIK3CG P48736 2/20 0.30
BRD4 O60885 2/20 0.30
BRD2 P25440 2/20 0.30
BRD3 Q15059 2/20 0.30
PDE2A O00408 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
SCHEMBL440061 0.92 MEN1 (0.41) ESR1ESR2KDM4ESMN1; SMN2MEN1
SCHEMBL438611 0.89 ALOX5 (0.36) ESR1ESR2KDM4ESMN1; SMN2MEN1
SCHEMBL440624 0.88 ALOX5 (0.36) ESR1ESR2KDM4ESMN1; SMN2MEN1
SCHEMBL437601 0.88 ESR1 (0.40) ESR1ESR2KDM4ESMN1; SMN2MEN1
SCHEMBL437631 0.88 ALOX5 (0.37) ESR1ESR2KDM4ESMN1; SMN2MEN1
SCHEMBL27449415 0.88 KDM4E (0.33) ESR1ESR2KDM4ESMN1; SMN2MEN1
SCHEMBL438792 0.87 ALOX5 (0.36) ESR1ESR2KDM4ESMN1; SMN2MEN1
SCHEMBL440085 0.86 ESR1 (0.41) ESR1ESR2KDM4ESMN1; SMN2MEN1
SCHEMBL440100 0.85 PRKDC (0.41) ESR1ESR2KDM4ESMN1; SMN2MEN1
SCHEMBL440102 0.84 PRKDC (0.39) ESR1ESR2KDM4ESMN1; SMN2MEN1

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 8 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
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 ESR1 138/4885ESR2 90/4885KDM4E 3710/4885
US-20120061714-A1 Fluorene Compound, Light-Emitting Element, Light-Emitting Device, Electronic Device, Lighting Device, and Organic Compound CYP1A1, CYP1B1, DRD1 ESR1 138/4885ESR2 90/4885KDM4E 3710/4885

“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.