SCHEMBL4549413

SCHEMBL4549413

Cc1cc(C)c(-c2ccc3oc4c(-c5ccc(-c6cc7ccccc7c7ccccc67)cc5)cc(-c5c(C)cc(C)cc5C)cc4c3c2)c(C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.39
CYP1A2 P05177 2/20 0.37
CYP2A6 P11509 1/20 0.37
ADORA3 P0DMS8 3/20 0.36
NUDT1 P36639 1/20 0.36
MAOB P27338 5/20 0.33
PTPRF P10586 1/20 0.33
PTPN2 P17706 1/20 0.33
PTPN1 P18031 1/20 0.33
TNKS O95271 1/20 0.33
PARP1 P09874 1/20 0.33
TNKS2 Q9H2K2 1/20 0.33
PARP2 Q9UGN5 1/20 0.33
PSMB5 P28074 1/20 0.33
MAOA P21397 1/20 0.32
CYP1A1 P04798 1/20 0.32
CYP1B1 Q16678 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
CYP11B1 P15538 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
SCHEMBL4549412 0.87 GPR84 (0.41) GPR84ADORA3NUDT1MAOBPTPRF
SCHEMBL4549388 0.84 NUDT1 (0.43) GPR84ADORA3NUDT1MAOBTNKS
SCHEMBL4549401 0.82 GPR84 (0.38) GPR84CYP1A2CYP1A1CYP1B1CYP11B1
SCHEMBL4549436 0.81 ALOX5 (0.47) GPR84CYP1A2CYP2A6ADORA3MAOB
SCHEMBL4549407 0.81 GPR84 (0.37) GPR84CYP1A2CYP1A1CYP1B1CYP11B1
SCHEMBL8281420 0.81 NPC1 (0.49) CYP1A2NUDT1MAOBPARP1MAPT
SCHEMBL4549404 0.80 PLA2G2A (0.41) GPR84CYP1A2NUDT1MAOBCYP1A1
SCHEMBL4549391 0.80 PLA2G2A (0.41) GPR84CYP1A2NUDT1MAOBCYP1A1
SCHEMBL9604012 0.80 NPC1 (0.48) PTPN2PTPN1MAPTKDM4EMEN1
SCHEMBL8281500 0.80 SMN1; SMN2 (0.41) CYP1A2MAPTTHRBKDM4EMEN1

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 GPR84 976/4885CYP1A2 675/4885CYP2A6 1094/4885
US-20150171333-A1 Phenanthrene Compound, Light-Emitting Element, Light-Emitting Device, Electronic Device, and Lighting Device MC1R, NR2E3, RPS19 GPR84 976/4885CYP1A2 675/4885CYP2A6 1094/4885

“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.