SCHEMBL440085

SCHEMBL440085

c1ccc(-c2cccc3c2oc2c(-c4cccc(C5(c6cccc(-c7cccc8c7oc7c(-c9ccccc9)cccc78)c6)c6ccccc6-c6ccccc65)c4)cccc23)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
ALOX5 P09917 2/20 0.40
PRKDC P78527 9/20 0.39
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
PIK3CD O00329 3/20 0.38
PIK3CA P42336 3/20 0.38
PIK3CB P42338 3/20 0.38
PIK3CG P48736 3/20 0.38
BRD4 O60885 2/20 0.38
BRD2 P25440 2/20 0.38
BRD3 Q15059 2/20 0.38
PDE2A O00408 1/20 0.38
PIK3C2A O00443 1/20 0.38
PIK3R2 O00459 1/20 0.38
PIK3C2B O00750 1/20 0.38
PDE5A O76074 1/20 0.38
TP53 P04637 1/20 0.38

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 0.99 ESR1 (0.40) ESR1ESR2ALOX5PRKDCALDH1A1
SCHEMBL440102 0.95 PRKDC (0.39) ESR1ESR2ALOX5PRKDCALDH1A1
SCHEMBL440100 0.93 PRKDC (0.41) ESR1ESR2ALOX5PRKDCALDH1A1
SCHEMBL440035 0.90 KDM4E (0.45) ESR1ESR2ALOX5PRKDCALDH1A1
SCHEMBL437648 0.89 PRKDC (0.40) ESR1ESR2ALOX5PRKDCALDH1A1
SCHEMBL440729 0.89 ALOX5 (0.52) ESR1ESR2ALOX5PRKDCKDM4E
SCHEMBL438639 0.89 ALOX5 (0.55) ESR1ESR2ALOX5PRKDCKDM4E
SCHEMBL437624 0.88 KDM4E (0.46) ESR1ESR2ALOX5PRKDCALDH1A1
SCHEMBL328686 0.88 KDM4E (0.39) ESR1ESR2ALOX5PRKDCALDH1A1
SCHEMBL282693 0.87 ALOX5 (0.50) ESR1ESR2ALOX5PRKDCKDM4E

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 90/4885ALOX5 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.