SCHEMBL6837113

SCHEMBL6837113

O=C(c1cccc2ccccc12)C(O)c1cccc2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.55
NR4A2 P43354 1/20 0.55
NR4A3 Q92570 1/20 0.55
CES2 O00748 2/20 0.51
CES1 P23141 2/20 0.51
MMP3 P08254 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
PTPN1 P18031 1/20 0.49
CDC25B P30305 1/20 0.49
PLK1 P53350 1/20 0.49
ALDH1A1 P00352 3/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
CYP1A2 P05177 1/20 0.47
ADRA2A P08913 2/20 0.45
ADRA2B P18089 2/20 0.45
ADRA2C P18825 2/20 0.45
ADRA1D P25100 2/20 0.45
ADRA1A P35348 2/20 0.45
ADRA1B P35368 2/20 0.45

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
SCHEMBL30349521 1.00 NR4A1 (0.55) NR4A1NR4A2NR4A3CES2CES1
SCHEMBL28555282 0.84 CES2 (0.53) NR4A1NR4A2NR4A3CES2CES1
SCHEMBL4955989 0.81 ALDH1A1 (0.50) NR4A1NR4A2NR4A3CDC25BALDH1A1
SCHEMBL14376212 0.81 ALDH1A1 (0.50) NR4A1NR4A2NR4A3CDC25BALDH1A1
SCHEMBL1826565 0.81 ALDH1A1 (0.50) NR4A1NR4A2NR4A3CDC25BALDH1A1
SCHEMBL4954667 0.81 ALDH1A1 (0.50) NR4A1NR4A2NR4A3CDC25BALDH1A1
SCHEMBL1164084 0.80 NR4A1 (0.63) NR4A1NR4A2NR4A3MMP3HDAC8
SCHEMBL4836821 0.79 ALDH1A1 (0.48) NR4A1NR4A2NR4A3PLK1ALDH1A1
SCHEMBL28564523 0.79 ALDH1A1 (0.49) NR4A1NR4A2NR4A3MMP3HDAC8
SCHEMBL2599103 0.77 NR4A1 (0.59) NR4A1NR4A2NR4A3MMP3HDAC8

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-10059700-B2 Supported catalyst for aldehyde coupling reaction , method for performing aldehyde coupling reaction, and method for regenerating supported catalyst for aldehyde coupling reaction SEKISUI CHEMICAL CO., LTD. (JP) 2018-08-28 US disclosed
US-20160346774-A1 SUPPORTED CATALYST FOR ALDEHYDE COUPLING REACTION , METHOD FOR PERFORMING ALDEHYDE COUPLING REACTION, AND METHOD FOR REGENERATING SUPPORTED CATALYST FOR ALDEHYDE COUPLING REACTION SEKISUI CHEMICAL CO., LTD. (JP) 2016-12-01 US disclosed
US-6756432-B2 POLYBUTADIENE TYPE POLYMER WITH A 1-BENZOPYRAN, A 1-BENZO PYRAN-2-ONE OR A BENZOIN DERIVATIVE; MOLDS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-06-29 US disclosed
US-20030153655-A1 Polybutadiene composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-08-14 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-20160346774-A1 SUPPORTED CATALYST FOR ALDEHYDE COUPLING REACTION , METHOD FOR PERFORMING ALDEHYDE COUPLING REACTION, AND METHOD FOR REGENERATING SUPPORTED CATALYST FOR ALDEHYDE COUPLING REACTION ALDH2, ALDH7A1, ALDH3A1 NR4A1 2651/4885NR4A2 2487/4885NR4A3 2617/4885
US-10059700-B2 Supported catalyst for aldehyde coupling reaction , method for performing aldehyde coupling reaction, and method for regenerating supported catalyst for aldehyde coupling reaction ALDH2, ALDH7A1, ALDH3A1 NR4A1 2651/4885NR4A2 2487/4885NR4A3 2617/4885

“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.