Sugi Predict

Sugi Predict / Compounds / SCHEMBL4659503

SCHEMBL4659503

SCHEMBL4659503

Brc1ccc(-c2ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)cc2)c2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 3/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ KDM4E B2RXH2 2/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ MAPT P10636 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ ESR1 P03372 4/20 0.38
▸ ESR2 Q92731 4/20 0.38
▸ ACHE P22303 2/20 0.38
▸ CYP1A2 P05177 2/20 0.36
▸ CYP1B1 Q16678 4/20 0.36
▸ EGFR P00533 1/20 0.35
▸ GPR84 Q9NQS5 1/20 0.35
▸ PTGS2 P35354 1/20 0.35
▸ CYP3A4 P08684 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ PARP1 P09874 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
SCHEMBL29490166 0.90 MAPK1 (0.43) MAPK1ALDH1A1KDM4EL3MBTL1MAPT
SCHEMBL12560744 0.90 MAPK1 (0.43) MAPK1ALDH1A1KDM4EL3MBTL1MAPT
SCHEMBL31026098 0.90 ALDH1A1 (0.50) MAPK1ALDH1A1L3MBTL1MAPTTDP1
SCHEMBL10136265 0.90 ALDH1A1 (0.50) MAPK1ALDH1A1L3MBTL1MAPTTDP1
SCHEMBL2162977 0.89 ALDH1A1 (0.54) MAPK1ALDH1A1KDM4EMAPTCYP1A2
SCHEMBL28668358 0.87 ALDH1A1 (0.52) MAPK1ALDH1A1KDM4EMAPTCYP1A2
SCHEMBL9971888 0.87 ALDH1A1 (0.44) MAPK1ALDH1A1L3MBTL1CYP1A2CYP1B1
SCHEMBL28895917 0.82 MAPK1 (0.48) MAPK1ALDH1A1KDM4EL3MBTL1MAPT
SCHEMBL4658209 0.81 ALDH1A1 (0.48) MAPK1ALDH1A1MAPTTDP1CYP1A2
SCHEMBL12832127 0.81 ALDH1A1 (0.42) MAPK1ALDH1A1KDM4EL3MBTL1MAPT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110152587-A1 ELECTROLUMINESCENT COMPOUNDS WITH HIGH EFFICIENCY AND ORGANIC LIGHT-EMITTING DIODE USING THE SAME SHIN HYO NIM 2011-06-23 — — US disclosed
US-20110152587-A1 ELECTROLUMINESCENT COMPOUNDS WITH HIGH EFFICIENCY AND ORGANIC LIGHT-EMITTING DIODE USING THE SAME SHIN HYO NIM 2011-06-23 — — US disclosed
CN-101415662-A Bianthracene derivative and organic electroluminescent element using same IDEMITSU KOSAN CO (JP) 2009-04-22 — — CN disclosed
EP-2003107-A1 BISANTHRACENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME Idemitsu Kosan Co., Ltd. (JP) 2008-12-17 — — EP disclosed
US-20070285009-A1 BISANTHRACENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2007-12-13 — — 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-20110152587-A1 ELECTROLUMINESCENT COMPOUNDS WITH HIGH EFFICIENCY AND ORGANIC LIGHT-EMITTING DIODE USING THE SAME ORMDL3, OCIAD2, OCIAD1 MAPK1 3565/4885ALDH1A1 528/4885KDM4E 3530/4885
US-20070285009-A1 BISANTHRACENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE USING THE SAME EED, PARG, L1CAM MAPK1 2814/4885ALDH1A1 192/4885KDM4E 1843/4885

“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.