SCHEMBL5877773

SCHEMBL5877773

C(=C(c1ccccc1)c1cccc2ccccc12)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.48
NR4A2 P43354 1/20 0.48
NR4A3 Q92570 1/20 0.48
CYP1A2 P05177 2/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2D6 P10635 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48
ESR1 P03372 1/20 0.47
CYP19A1 P11511 2/20 0.46
CYP11B2 P19099 2/20 0.46
KMT2A Q03164 3/20 0.43
CDC25B P30305 1/20 0.43
MEN1 O00255 2/20 0.41
ATM Q13315 1/20 0.41
TBXAS1 P24557 1/20 0.41
MAPT P10636 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MMP3 P08254 1/20 0.41
HDAC8 Q9BY41 1/20 0.41

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
SCHEMBL13508420 0.88 CYP1A2 (0.42) NR4A1NR4A2NR4A3CYP1A2CYP3A4
SCHEMBL14570727 0.86 CYP1A2 (0.41) NR4A1NR4A2NR4A3CYP1A2CYP3A4
SCHEMBL1547491 0.85 KDM4E (0.47) NR4A1NR4A2NR4A3CYP1A2CYP3A4
SCHEMBL13023338 0.84 CYP1A2 (0.42) NR4A1NR4A2NR4A3CYP1A2CYP3A4
SCHEMBL4612461 0.82 ESR1 (0.59) CYP2D6ESR1CYP19A1CYP11B2KMT2A
SCHEMBL4612464 0.82 ESR1 (0.59) CYP2D6ESR1CYP19A1CYP11B2KMT2A
SCHEMBL9806354 0.81 NR4A1 (0.52) NR4A1NR4A2NR4A3CYP1A2CYP3A4
SCHEMBL9806349 0.81 NR4A1 (0.52) NR4A1NR4A2NR4A3CYP1A2CYP3A4
SCHEMBL2506548 0.80 NR4A1 (0.43) NR4A1NR4A2NR4A3CYP1A2CYP3A4
SCHEMBL2506549 0.80 NR4A1 (0.43) NR4A1NR4A2NR4A3CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104478640-A Method of preparing polysubstituted olefin compound with fluorinated alkene UNIV EAST CHINA SCIENCE & TECH 2015-04-01 CN disclosed
US-7022867-B2 Silicon compound and method for making the same CANON KABUSHIKI KAISHA (JP) 2006-04-04 US disclosed
US-6706839-B1 COVALENTLY BONDING SEPARATING AGENT TO REACTANT; ISOMERIZATION UNIVERSITY OF PITTSBURGH 2004-03-16 US disclosed
US-20030216591-A1 Silicon compound and method for making the same UENO KAZUNORI (JP) 2003-11-20 US disclosed
EP-1165222-A4 CHEMICAL PARTITIONING AGENTS AND METHODS OF USING SAME UNIV PITTSBURGH (US) 2003-05-21 EP disclosed
US-6534198-B1 Polysilane silicon compound having excellent charge transport characteristics and durability CANON KABUSHIKI KAISHA (JP) 2003-03-18 US disclosed
EP-0879841-B1 Silicon compound, method for making the same, and electroluminescent device using the same CANON KK (JP) 2002-10-30 EP disclosed
WO-2002066451-A3 1,2-DIPHENYL-1-NAPHTHYL ETHENE DERIVATIVES, ANALOGS AND USE THEREOF NANODESIGN INC (CA) 2002-10-24 WO disclosed
US-20020147187-A1 1,2-diphenyl-1-naphthyl ethene derivatives, analogs and use thereof NANODESIGN INC. (CA) 2002-10-10 US disclosed
US-20020147187-A1 1,2-diphenyl-1-naphthyl ethene derivatives, analogs and use thereof NANODESIGN INC. (CA) 2002-10-10 US disclosed
US-20020147187-A1 1,2-diphenyl-1-naphthyl ethene derivatives, analogs and use thereof NANODESIGN INC. (CA) 2002-10-10 US disclosed
WO-2002066451-A2 1,2-DIPHENYL-1-NAPHTHYL ETHENE DERIVATIVES, ANALOGS AND USE THEREOF NANODESIGN INC. (CA) 2002-08-29 WO disclosed
EP-1165222-A1 CHEMICAL PARTITIONING AGENTS AND METHODS OF USING SAME UNIVERSITY OF PITTSBURGH (US) 2002-01-02 EP disclosed
WO-2000047031-A2 CHEMICAL PARTITIONING AGENTS AND METHODS OF USING SAME UNIVERSITY OF PITTSBURGH (US) 2000-08-17 WO disclosed
EP-0879841-A2 Silicon compound, method for making the same, and electroluminescent device using the same CANON KABUSHIKI KAISHA (JP) 1998-11-25 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-20030216591-A1 Silicon compound and method for making the same AR, NR5A1, SSTR1 NR4A1 108/4885NR4A2 407/4885NR4A3 744/4885
US-20020147187-A1 1,2-diphenyl-1-naphthyl ethene derivatives, analogs and use thereof ESR2, ECE1, ECE2 NR4A1 265/4885NR4A2 213/4885NR4A3 232/4885

“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.