SCHEMBL328656

SCHEMBL328656

c1ccc2c(c1)-c1ccccc1C2(c1ccccc1-c1cccc2c1oc1ccccc12)c1ccccc1-c1cccc2c1sc1ccccc12

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 12/20 0.44
PIK3CD O00329 3/20 0.44
PIK3CB P42338 3/20 0.44
BRD4 O60885 1/20 0.44
PIK3CA P42336 1/20 0.44
MTOR P42345 1/20 0.44
PIK3CG P48736 1/20 0.44
KCNH2 Q12809 1/20 0.44
BRDT Q58F21 1/20 0.44
ALOX5 P09917 3/20 0.43
PARP14 Q460N5 1/20 0.40
ESR2 Q92731 2/20 0.34
ESR1 P03372 1/20 0.33
GPR3 P46089 1/20 0.33
GGPS1 O95749 1/20 0.32

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
SCHEMBL19803007 0.91 PRKDC (0.50) PRKDCPIK3CDPIK3CBBRD4PIK3CA
SCHEMBL21583609 0.89 PRKDC (0.49) PRKDCPIK3CDPIK3CBBRD4PIK3CA
SCHEMBL17039877 0.89 PRKDC (0.49) PRKDCPIK3CDPIK3CBBRD4PIK3CA
SCHEMBL431988 0.89 PRKDC (0.49) PRKDCPIK3CDPIK3CBBRD4PIK3CA
SCHEMBL21688335 0.87 ALOX5 (0.47) PRKDCPIK3CDPIK3CBBRD4PIK3CA
SCHEMBL12996607 0.87 ALOX5 (0.47) PRKDCPIK3CDPIK3CBBRD4PIK3CA
SCHEMBL438651 0.86 ALOX5 (0.43) PRKDCPIK3CDPIK3CBBRD4PIK3CA
SCHEMBL16182138 0.85 ALOX5 (0.42) PRKDCPIK3CDPIK3CBBRD4PIK3CA
SCHEMBL440608 0.85 ALOX5 (0.42) PRKDCPIK3CDPIK3CBBRD4PIK3CA
SCHEMBL438622 0.85 PARP14 (0.50) PRKDCPIK3CDPIK3CBBRD4PIK3CA

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-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
EP-2428512-A2 Fluorene compound, light-emitting element, light-emitting device, electronic device and lighting device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2012-03-14 EP 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 PRKDC 4788/4885PIK3CD 4543/4885PIK3CB 4587/4885
US-20120061714-A1 Fluorene Compound, Light-Emitting Element, Light-Emitting Device, Electronic Device, Lighting Device, and Organic Compound CYP1A1, CYP1B1, DRD1 PRKDC 4788/4885PIK3CD 4543/4885PIK3CB 4587/4885

“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.