SCHEMBL12419940

SCHEMBL12419940

CCc1cccc2c(C(=O)OC)cccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
LMNA P02545 4/20 0.50
MAPK8 P45983 1/20 0.50
MAPK9 P45984 1/20 0.50
MAPK10 P53779 1/20 0.50
KDM4E B2RXH2 4/20 0.49
HTT P42858 2/20 0.49
HSD17B10 Q99714 2/20 0.49
MAPT P10636 1/20 0.49
HPGD P15428 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
BRD4 O60885 2/20 0.49
TSHR P16473 1/20 0.47
NR4A2 P43354 3/20 0.46
CDK4 P11802 1/20 0.46
CCND1 P24385 1/20 0.46
GSK3B P49841 1/20 0.46
CFTR P13569 1/20 0.46
KMT2A Q03164 1/20 0.45
POLB P06746 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
SCHEMBL12419944 0.89 BRD4 (0.53) ALDH1A1LMNAKDM4EHTTHSD17B10
SCHEMBL70429 0.87 LMNA (0.59) ALDH1A1LMNAKDM4EHSD17B10MAPT
SCHEMBL12283815 0.81 ALDH1A1 (0.53) ALDH1A1LMNAMAPK8MAPK9MAPK10
SCHEMBL28680548 0.81 ALDH1A1 (0.53) ALDH1A1LMNAMAPK8MAPK9MAPK10
SCHEMBL156281 0.81 ALDH1A1 (0.66) ALDH1A1LMNAMAPK8MAPK9MAPK10
SCHEMBL16952642 0.81 ALDH1A1 (0.49) ALDH1A1LMNAMAPK8MAPK9MAPK10
SCHEMBL7444828 0.80 ALDH1A1 (0.51) ALDH1A1LMNAMAPK8MAPK9MAPK10
SCHEMBL28452243 0.80 GABRA1 (0.57) ALDH1A1LMNAMAPK8MAPK9MAPK10
SCHEMBL5772033 0.80 CA1 (0.52) ALDH1A1LMNAMAPK8MAPK9MAPK10
SCHEMBL3230050 0.79 NR4A2 (0.53) ALDH1A1LMNAKDM4EHSD17B10MAPT

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 11 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-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 (5 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 ALDH1A1 1415/4885LMNA 3411/4885MAPK8 3456/4885
US-20110028752-A1 NOVEL BIS(FORMYLPHENYL) COMPOUND AND NOVEL POLYNUCLEAR POLYPHENOL COMPOUND DERIVED FROM THE SAME PAH, PCBP1, MLLT1 ALDH1A1 805/4885LMNA 2681/4885MAPK8 2945/4885
US-20110172457-A1 TETRAKIS(ETHER-SUBSTITUTED FORMYLPHENYL) AND NEW POLYNUCLEAR POLYPHENOL DERIVED FROM THE SAME AHR, PAH, ARNT ALDH1A1 2089/4885LMNA 3268/4885MAPK8 1891/4885
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 ALDH1A1 1480/4885LMNA 1330/4885MAPK8 4403/4885
US-20120289735-A1 NOVEL BIS(FORMYLPHENYL) COMPOUND AND NOVEL POLYNUCLEAR POLYPHENOL COMPOUND DERIVED FROM THE SAME SLC11A2, PCBP1, NFE2L2 ALDH1A1 3682/4885LMNA 1963/4885MAPK8 3326/4885

“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.