SCHEMBL4549422

SCHEMBL4549422

CCC(C)c1ccc2cc(-c3ccc(-c4cccc5c4oc4ccccc45)cc3)c3ccccc3c2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.45
GGPS1 O95749 1/20 0.38
PTGES2 Q9H7Z7 1/20 0.37
PRKDC P78527 5/20 0.35
TNKS O95271 1/20 0.34
PARP1 P09874 1/20 0.34
TNKS2 Q9H2K2 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
PARP2 Q9UGN5 1/20 0.34
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PTPN1 P18031 3/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
PIK3CD O00329 1/20 0.32
PIK3CB P42338 1/20 0.32
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
ATM Q13315 1/20 0.31

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
SCHEMBL4549420 0.89 ALOX5 (0.49) ALOX5GGPS1PTGES2PRKDCTNKS
SCHEMBL9917186 0.86 ALOX5 (0.50) ALOX5GGPS1PTGES2PRKDCTNKS
SCHEMBL27046619 0.82 ALOX5 (0.50) ALOX5GGPS1PTGES2PRKDCTNKS
SCHEMBL4549386 0.82 MCL1 (0.33) ALOX5TNKSPARP1TNKS2HDAC6
SCHEMBL20733768 0.82 ALOX5 (0.43) ALOX5GGPS1PTGES2PRKDCNPSR1
SCHEMBL4549419 0.81 ALOX5 (0.49) ALOX5GGPS1PTGES2PRKDCPRMT5
SCHEMBL4549425 0.81 ALOX5 (0.46) ALOX5GGPS1PTGES2PRKDCPRMT5
SCHEMBL4549414 0.80 ALOX5 (0.52) ALOX5GGPS1PTGES2PRKDCTNKS
SCHEMBL4549417 0.80 ALOX5 (0.47) ALOX5GGPS1PTGES2PRKDCPRMT5
SCHEMBL4549366 0.79 ALOX5 (0.60) ALOX5GGPS1PTGES2PRKDCPIK3CD

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-9406889-B2 Phenanthrene compound, light-emitting element, light-emitting device, electronic device, and lighting device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2016-08-02 US disclosed
US-9406889-B2 Phenanthrene compound, light-emitting element, light-emitting device, electronic device, and lighting device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2016-08-02 US disclosed
US-20150171333-A1 Phenanthrene Compound, Light-Emitting Element, Light-Emitting Device, Electronic Device, and Lighting Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2015-06-18 US disclosed
US-20150171333-A1 Phenanthrene Compound, Light-Emitting Element, Light-Emitting Device, Electronic Device, and Lighting Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2015-06-18 US disclosed
US-8968888-B2 Phenanthrene compound, light-emitting element, light-emitting device, electronic device, and lighting device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2015-03-03 US disclosed
US-8968888-B2 Phenanthrene compound, light-emitting element, light-emitting device, electronic device, and lighting device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2015-03-03 US disclosed
US-20120104369-A1 Phenanthrene Compound, Light-Emitting Element, Light-Emitting Device, Electronic Device, and Lighting Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2012-05-03 US disclosed
US-20120104369-A1 Phenanthrene Compound, Light-Emitting Element, Light-Emitting Device, Electronic Device, and Lighting Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. 2012-05-03 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-20120104369-A1 Phenanthrene Compound, Light-Emitting Element, Light-Emitting Device, Electronic Device, and Lighting Device MC1R, NR2E3, RPS19 ALOX5 3393/4885GGPS1 1183/4885PTGES2 3115/4885
US-20150171333-A1 Phenanthrene Compound, Light-Emitting Element, Light-Emitting Device, Electronic Device, and Lighting Device MC1R, NR2E3, RPS19 ALOX5 3393/4885GGPS1 1183/4885PTGES2 3115/4885

“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.