SCHEMBL4549386

SCHEMBL4549386

CCC(C)c1ccc2oc3c(-c4ccc(-c5cc6ccccc6c6ccccc56)cc4)cc(C(C)CC)cc3c2c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.33
SIRT2 Q8IXJ6 3/20 0.32
SIRT1 Q96EB6 3/20 0.32
GPR35 Q9HC97 1/20 0.32
TNKS O95271 1/20 0.32
PARP1 P09874 1/20 0.32
TNKS2 Q9H2K2 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
PARP2 Q9UGN5 1/20 0.32
TBK1 Q9UHD2 1/20 0.31
ALDH1A1 P00352 6/20 0.31
KDM4E B2RXH2 4/20 0.31
GAA P10253 2/20 0.31
GLA P06280 1/20 0.31
CYP11B1 P15538 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
GPR84 Q9NQS5 2/20 0.31
MAPT P10636 2/20 0.30
ALOX5 P09917 1/20 0.30
KMT2A Q03164 3/20 0.30

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
SCHEMBL4549379 0.86 TNKS (0.40) GPR35TNKSPARP1TNKS2HDAC6
SCHEMBL4549422 0.82 ALOX5 (0.45) TNKSPARP1TNKS2HDAC6PARP2
SCHEMBL8281399 0.81 HPGD (0.40) MCL1ALDH1A1KDM4EGAAGLA
SCHEMBL9603990 0.81 KDM4E (0.43) ALDH1A1KDM4ENPSR1MAPTKMT2A
SCHEMBL10128084 0.79 NPSR1 (0.31) SIRT2SIRT1ALDH1A1KDM4EGAA
SCHEMBL20733768 0.78 ALOX5 (0.43) MCL1ALDH1A1GLANPSR1ALOX5
SCHEMBL10127563 0.78 POLB (0.37) MCL1MAPTPOLB
SCHEMBL15746946 0.77 ALDH1A1 (0.31) MCL1ALDH1A1KDM4EGAAHPGD
SCHEMBL889841 0.77 SMN1; SMN2 (0.41) MCL1ALDH1A1KDM4EGLANPSR1
SCHEMBL4549376 0.77 POLB (0.37) SIRT2SIRT1ALDH1A1KDM4EGAA

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 MCL1 1281/4885SIRT2 2076/4885SIRT1 1224/4885
US-20150171333-A1 Phenanthrene Compound, Light-Emitting Element, Light-Emitting Device, Electronic Device, and Lighting Device MC1R, NR2E3, RPS19 MCL1 1281/4885SIRT2 2076/4885SIRT1 1224/4885

“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.