SCHEMBL437601

SCHEMBL437601

c1ccc(-c2cccc3c2oc2c(-c4cccc(C5(c6ccccc6)c6ccccc6-c6ccccc65)c4)cccc23)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
ALOX5 P09917 2/20 0.40
KDM4E B2RXH2 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
LMNA P02545 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 1/20 0.39
OPRK1 P41145 1/20 0.39
PRKDC P78527 9/20 0.38
ALDH1A1 P00352 3/20 0.37
PIK3CD O00329 3/20 0.37
PIK3CA P42336 3/20 0.37
PIK3CB P42338 3/20 0.37
PIK3CG P48736 3/20 0.37
BRD4 O60885 2/20 0.37
BRD2 P25440 2/20 0.37
BRD3 Q15059 2/20 0.37
PDE2A O00408 1/20 0.37

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
SCHEMBL440085 0.99 ESR1 (0.41) ESR1ESR2ALOX5KDM4ESMN1; SMN2
SCHEMBL440102 0.96 PRKDC (0.39) ESR1ESR2ALOX5KDM4ESMN1; SMN2
SCHEMBL440100 0.94 PRKDC (0.41) ESR1ESR2ALOX5KDM4ESMN1; SMN2
SCHEMBL440035 0.91 KDM4E (0.45) ESR1ESR2ALOX5KDM4ESMN1; SMN2
SCHEMBL440729 0.91 ALOX5 (0.52) ESR1ESR2ALOX5KDM4ESMN1; SMN2
SCHEMBL437648 0.91 PRKDC (0.40) ESR1ESR2ALOX5KDM4ESMN1; SMN2
SCHEMBL437624 0.90 KDM4E (0.46) ESR1ESR2ALOX5KDM4ESMN1; SMN2
SCHEMBL328686 0.90 KDM4E (0.39) ESR1ESR2ALOX5KDM4ESMN1; SMN2
SCHEMBL438619 0.88 KDM4E (0.41) ESR1ESR2ALOX5KDM4ESMN1; SMN2
SCHEMBL282693 0.88 ALOX5 (0.50) ESR1ESR2ALOX5KDM4ESMN1; 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 ESR1 138/4885ESR2 90/4885ALOX5 1299/4885
US-20120061714-A1 Fluorene Compound, Light-Emitting Element, Light-Emitting Device, Electronic Device, Lighting Device, and Organic Compound CYP1A1, CYP1B1, DRD1 ESR1 138/4885ESR2 90/4885ALOX5 1299/4885

“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.