SCHEMBL12419944

SCHEMBL12419944

CCc1ccc(C(=O)OC)c2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.53
NR4A2 P43354 3/20 0.50
CNR1 P21554 1/20 0.48
CREBBP Q92793 1/20 0.47
LMNA P02545 4/20 0.47
TSHR P16473 1/20 0.47
CNR2 P34972 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 4/20 0.46
CFTR P13569 1/20 0.46
HSD17B10 Q99714 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 2/20 0.45
POLB P06746 1/20 0.44
ATM Q13315 1/20 0.44
GAA P10253 1/20 0.44
MEN1 O00255 1/20 0.44

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
SCHEMBL2650431 0.89 BRD4 (0.49) BRD4NR4A2CNR1CREBBPLMNA
SCHEMBL31497570 0.89 BRD4 (0.49) BRD4NR4A2CNR1CREBBPLMNA
SCHEMBL12419940 0.89 ALDH1A1 (0.50) BRD4NR4A2CREBBPLMNATSHR
SCHEMBL29434198 0.87 BRD4 (0.59) BRD4NR4A2CREBBPLMNATSHR
SCHEMBL70381 0.87 BRD4 (0.59) BRD4NR4A2CREBBPLMNATSHR
SCHEMBL870191 0.86 ALDH1A1 (0.47) BRD4NR4A2CNR1CREBBPLMNA
SCHEMBL6018021 0.86 ALDH1A1 (0.47) BRD4NR4A2CNR1CREBBPLMNA
SCHEMBL5751799 0.86 LMNA (0.48) BRD4NR4A2CNR1CREBBPLMNA
SCHEMBL30874622 0.86 ALDH1A1 (0.47) BRD4NR4A2CNR1CREBBPLMNA
Hydrochloric Acid SCHEMBL1854782 0.85 ALDH1A1 (0.46) BRD4NR4A2CNR1CREBBPLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9522868-B2 Tetrakis(ether-substituted formylphenyl) HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2016-12-20 US disclosed
US-9522868-B2 Tetrakis(ether-substituted formylphenyl) HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2016-12-20 US disclosed
US-20160016884-A1 NEW TETRAKIS(ETHER-SUBSTITUTED FORMYLPHENYL) HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2016-01-21 US disclosed
US-20160016884-A1 NEW TETRAKIS(ETHER-SUBSTITUTED FORMYLPHENYL) HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2016-01-21 US disclosed
US-8563770-B2 Bis(formylphenyl) compound and novel polynuclear polyphenol compound derived from the same HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2013-10-22 US disclosed
US-8563770-B2 Bis(formylphenyl) compound and novel polynuclear polyphenol compound derived from the same HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2013-10-22 US disclosed
US-20120289735-A1 NOVEL BIS(FORMYLPHENYL) COMPOUND AND NOVEL POLYNUCLEAR POLYPHENOL COMPOUND DERIVED FROM THE SAME HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2012-11-15 US disclosed
US-20110172457-A1 TETRAKIS(ETHER-SUBSTITUTED FORMYLPHENYL) AND NEW POLYNUCLEAR POLYPHENOL DERIVED FROM THE SAME HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2011-07-14 US disclosed
US-20110028752-A1 NOVEL BIS(FORMYLPHENYL) COMPOUND AND NOVEL POLYNUCLEAR POLYPHENOL COMPOUND DERIVED FROM THE SAME HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2011-02-03 US disclosed
US-7875743-B2 such as bis(3-formyl-4-(4-methoxycarbonylphenyl)methoxyphenyl)methane, by reacting bis(hydroxymethyl-hydroxyphenyl)alkane with hexamethylene tetramine in presence of acid and hydrolyzing, then reacting with halogenated alkoxycarbonyl hydrocarbon in presence of base HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2011-01-25 US disclosed
US-7858819-B2 Tris(formylphenyl) and novel polynuclear phenol derived therefrom HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2010-12-28 US disclosed
US-20100099908-A1 TRIS(FORMYLPHENYL) AND NEW POLYNUCLEAR POLYPHENOL DERIVED THEREFROM HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2010-04-22 US disclosed
US-20100016633-A1 such as bis(3-formyl-4-(4-methoxycarbonylphenyl)methoxyphenyl)methane, by reacting bis(hydroxymethyl-hydroxyphenyl)alkane with hexamethylene tetramine in presence of acid and hydrolyzing, then reacting with halogenated alkoxycarbonyl hydrocarbon in presence of base HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2010-01-21 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 (6 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-20160016884-A1 NEW TETRAKIS(ETHER-SUBSTITUTED FORMYLPHENYL) AHR, PAH, ALK BRD4 2043/4885NR4A2 64/4885CNR1 224/4885
US-20110028752-A1 NOVEL BIS(FORMYLPHENYL) COMPOUND AND NOVEL POLYNUCLEAR POLYPHENOL COMPOUND DERIVED FROM THE SAME PAH, PCBP1, MLLT1 BRD4 116/4885NR4A2 619/4885CNR1 2423/4885
US-20110172457-A1 TETRAKIS(ETHER-SUBSTITUTED FORMYLPHENYL) AND NEW POLYNUCLEAR POLYPHENOL DERIVED FROM THE SAME AHR, PAH, ARNT BRD4 1104/4885NR4A2 32/4885CNR1 949/4885
US-20100099908-A1 TRIS(FORMYLPHENYL) AND NEW POLYNUCLEAR POLYPHENOL DERIVED THEREFROM AS3MT, RRM2, SHROOM3 BRD4 2149/4885NR4A2 72/4885CNR1 1983/4885
US-20100016633-A1 such as bis(3-formyl-4-(4-methoxycarbonylphenyl)methoxyphenyl)methane, by reacting bis(hydroxymethyl-hydroxyphenyl)alkane with hexamethylene tetramine in presence of acid and hydrolyzing, then reacting with halogenated alkoxycarbonyl hydrocarbon in presence of base PAH, PGM2, HNMT BRD4 1513/4885NR4A2 2081/4885CNR1 1540/4885
US-20120289735-A1 NOVEL BIS(FORMYLPHENYL) COMPOUND AND NOVEL POLYNUCLEAR POLYPHENOL COMPOUND DERIVED FROM THE SAME SLC11A2, PCBP1, NFE2L2 BRD4 335/4885NR4A2 120/4885CNR1 4397/4885

“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.