Sugi Predict

Sugi Predict / Compounds / SCHEMBL4549377

SCHEMBL4549377

SCHEMBL4549377

CCCc1ccc2oc3c(-c4ccc(-c5cc6ccccc6c6ccccc56)cc4)cc(CCC)cc3c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.38
▸ CYP2D6 P10635 2/20 0.38
▸ CYP2C19 P33261 2/20 0.38
▸ PDE10A Q9Y233 3/20 0.36
▸ SIRT2 Q8IXJ6 3/20 0.34
▸ SIRT1 Q96EB6 3/20 0.34
▸ KDM4E B2RXH2 4/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ MAPT P10636 2/20 0.34
▸ GAA P10253 2/20 0.34
▸ PSMB5 P28074 1/20 0.34
▸ RAB9A P51151 3/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ GLA P06280 2/20 0.33
▸ HPGD P15428 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL4549399 0.93 PSMB5 (0.42) CYP1A2CYP2D6CYP2C19PDE10ASIRT2
SCHEMBL4549376 0.88 POLB (0.37) CYP1A2CYP2D6CYP2C19SIRT2SIRT1
SCHEMBL16541608 0.86 PDE10A (0.33) CYP1A2CYP2D6CYP2C19PDE10ARAB9A
SCHEMBL4549390 0.83 IKBKE (0.34) CYP1A2CYP2D6CYP2C19SIRT2SIRT1
SCHEMBL4549417 0.81 ALOX5 (0.47) CYP1A2CYP2D6CYP2C19PDE10AALOX5
SCHEMBL8281393 0.81 HPGD (0.41) KDM4EALDH1A1MAPTGAARAB9A
SCHEMBL16541607 0.80 CYP1A2 (0.35) CYP1A2CYP2D6CYP2C19PDE10ASIRT2
SCHEMBL9603986 0.80 NPC1 (0.48) KDM4EALDH1A1MAPTRAB9ANPC1
SCHEMBL10128073 0.78 RAB9A (0.33) CYP1A2CYP2D6CYP2C19PDE10ASIRT2
SCHEMBL10127539 0.77 POLB (0.40) CYP1A2CYP2D6CYP2C19PDE10AALDH1A1

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 4 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-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-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 CYP1A2 675/4885CYP2D6 600/4885CYP2C19 110/4885
US-20150171333-A1 Phenanthrene Compound, Light-Emitting Element, Light-Emitting Device, Electronic Device, and Lighting Device MC1R, NR2E3, RPS19 CYP1A2 675/4885CYP2D6 600/4885CYP2C19 110/4885

“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.