SCHEMBL4584902

SCHEMBL4584902

Brc1cc(-c2ccccc2)c2ccc3c(-c4ccccc4)cc(-c4ccccc4)c4ccc1c2c43

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
MAPK1 P28482 4/20 0.46
BACE1 P56817 1/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
HPGD P15428 3/20 0.37
KDM4E B2RXH2 2/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
MPI P34949 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
HTT P42858 1/20 0.36
HKDC1 Q2TB90 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
PARP1 P09874 1/20 0.34
PLK4 O00444 1/20 0.34
AURKA O14965 1/20 0.34
JAK2 O60674 1/20 0.34
ROCK2 O75116 1/20 0.34

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
SCHEMBL2208749 0.98 ALDH1A1 (0.48) ALDH1A1MAPK1BACE1CRHBPCRHR2
SCHEMBL28136348 0.96 ALDH1A1 (0.46) ALDH1A1MAPK1BACE1CRHBPCRHR2
SCHEMBL3418910 0.96 ALDH1A1 (0.46) ALDH1A1MAPK1BACE1CRHBPCRHR2
SCHEMBL14281969 0.94 ALDH1A1 (0.45) ALDH1A1MAPK1BACE1CRHBPCRHR2
SCHEMBL16080048 0.90 ALDH1A1 (0.42) ALDH1A1MAPK1BACE1CRHBPCRHR2
SCHEMBL4927076 0.88 ALDH1A1 (0.48) ALDH1A1MAPK1BACE1CRHBPCRHR2
SCHEMBL11024611 0.87 ALDH1A1 (0.39) ALDH1A1MAPK1BACE1CRHBPCRHR2
SCHEMBL260886 0.87 BACE1 (0.48) ALDH1A1MAPK1BACE1HPGDKDM4E
SCHEMBL3689587 0.87 GSTP1 (0.43) ALDH1A1MAPK1HPGDKDM4EMEN1
SCHEMBL30044509 0.85 ALDH1A1 (0.41) ALDH1A1MAPK1BACE1CRHBPCRHR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9815821-B2 Condensed-cyclic compound and organic light emitting diode including the same SAMSUNG DISPLAY CO., LTD. (KR) 2017-11-14 US disclosed
US-9815821-B2 Condensed-cyclic compound and organic light emitting diode including the same SAMSUNG DISPLAY CO., LTD. (KR) 2017-11-14 US disclosed
US-20130175509-A1 CONDENSED-CYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DIODE INCLUDING THE SAME SFC CO., LTD. (KR) 2013-07-11 US disclosed
US-20130175509-A1 CONDENSED-CYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DIODE INCLUDING THE SAME SFC CO., LTD. (KR) 2013-07-11 US disclosed
US-20080012475-A1 Pyrene Based Compound, And Light Emitting Transistor Element And Electroluminescence Element Using The Same MITSUBISHI CHEMICAL CORPORATION (JP) 2008-01-17 US disclosed
US-20080012475-A1 Pyrene Based Compound, And Light Emitting Transistor Element And Electroluminescence Element Using The Same MITSUBISHI CHEMICAL CORPORATION (JP) 2008-01-17 US disclosed
US-20080012475-A1 Pyrene Based Compound, And Light Emitting Transistor Element And Electroluminescence Element Using The Same MITSUBISHI CHEMICAL CORPORATION (JP) 2008-01-17 US disclosed
EP-1818322-A1 PYRENE COMPOUND AND, UTILIZING THE SAME, LIGHT EMITTING TRANSISTOR DEVICE AND ELECTROLUMINESCENCE DEVICE Rohm Co., Ltd. (JP) 2007-08-15 EP disclosed
EP-1818322-A1 PYRENE COMPOUND AND, UTILIZING THE SAME, LIGHT EMITTING TRANSISTOR DEVICE AND ELECTROLUMINESCENCE DEVICE Rohm Co., Ltd. (JP) 2007-08-15 EP 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-20130175509-A1 CONDENSED-CYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DIODE INCLUDING THE SAME CCND2, OCIAD2, OCIAD1 ALDH1A1 561/4885MAPK1 4076/4885BACE1 1218/4885
US-20080012475-A1 Pyrene Based Compound, And Light Emitting Transistor Element And Electroluminescence Element Using The Same ARNT, ESR1, TEAD4 ALDH1A1 1298/4885MAPK1 2647/4885BACE1 1279/4885

“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.