SCHEMBL12419945

SCHEMBL12419945

CCc1ccc(C(C)(C)CC(=O)OC)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
PLK1 P53350 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.42
LMNA P02545 2/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 2/20 0.42
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
KMT2A Q03164 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
NPC1 O15118 3/20 0.38

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
SCHEMBL1125182 0.85 LMNA (0.41) ALDH1A1TDP1SMN1; SMN2LMNAMAPT
SCHEMBL12508633 0.85 CNR1 (0.53) ALDH1A1TDP1PLK1SMN1; SMN2LMNA
SCHEMBL1524169 0.82 RAB9A (0.47) ALDH1A1TDP1SMN1; SMN2LMNAMAPT
SCHEMBL433693 0.82 SHBG (0.50) ALDH1A1LMNAHPGDCA1CA2
SCHEMBL4715047 0.82 LMNA (0.39) ALDH1A1TDP1SMN1; SMN2LMNAMAPT
SCHEMBL27654041 0.82 MEN1 (0.49) ALDH1A1SMN1; SMN2LMNAMAPTCA1
SCHEMBL18111500 0.81 KMT2A (0.45) ALDH1A1SMN1; SMN2LMNAMAPTHPGD
SCHEMBL13654326 0.81 MAPT (0.46) ALDH1A1TDP1SMN1; SMN2LMNAMAPT
SCHEMBL2723561 0.81 ALDH1A1 (0.54) ALDH1A1TDP1PLK1SMN1; SMN2LMNA
SCHEMBL13005427 0.80 ALDH1A1 (0.48) ALDH1A1TDP1PLK1SMN1; SMN2HPGD

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-20210252035-A1 SUBSTITUTED PURINE AND 7-DEAZAPURINE COMPOUNDS Epizyme, Inc. 2021-08-19 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-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 (7 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 1415/4885TDP1 3582/4885PLK1 4775/4885
US-20110028752-A1 NOVEL BIS(FORMYLPHENYL) COMPOUND AND NOVEL POLYNUCLEAR POLYPHENOL COMPOUND DERIVED FROM THE SAME PAH, PCBP1, MLLT1 ALDH1A1 805/4885TDP1 330/4885PLK1 1218/4885
US-20210252035-A1 SUBSTITUTED PURINE AND 7-DEAZAPURINE COMPOUNDS TPMT, DIMT1, DAZAP1 ALDH1A1 592/4885TDP1 23/4885PLK1 2927/4885
US-20110172457-A1 TETRAKIS(ETHER-SUBSTITUTED FORMYLPHENYL) AND NEW POLYNUCLEAR POLYPHENOL DERIVED FROM THE SAME AHR, PAH, ARNT ALDH1A1 2089/4885TDP1 1550/4885PLK1 3364/4885
US-20100099908-A1 TRIS(FORMYLPHENYL) AND NEW POLYNUCLEAR POLYPHENOL DERIVED THEREFROM AS3MT, RRM2, SHROOM3 ALDH1A1 1711/4885TDP1 1242/4885PLK1 3188/4885
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 1480/4885TDP1 162/4885PLK1 3754/4885
US-20120289735-A1 NOVEL BIS(FORMYLPHENYL) COMPOUND AND NOVEL POLYNUCLEAR POLYPHENOL COMPOUND DERIVED FROM THE SAME SLC11A2, PCBP1, NFE2L2 ALDH1A1 3682/4885TDP1 2356/4885PLK1 1300/4885

“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.