SCHEMBL1596482

SCHEMBL1596482

CC(C)(C)c1cc(C(c2ccc(C(c3ccc(O)c(C(C)(C)C)c3)c3ccc(O)c(C(C)(C)C)c3)cc2)c2ccc(O)c(C(C)(C)C)c2)ccc1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.57
ALOX15 P16050 5/20 0.57
HSD17B10 Q99714 2/20 0.57
LMNA P02545 2/20 0.57
NR1I2 O75469 1/20 0.57
CYP2C9 P11712 1/20 0.57
MIF P14174 1/20 0.57
TYR P14679 1/20 0.57
HTT P42858 1/20 0.57
NFE2L2 Q16236 1/20 0.57
SMN1; SMN2 Q16637 2/20 0.50
KDM4E B2RXH2 1/20 0.50
CYP1A2 P05177 1/20 0.50
MAPT P10636 1/20 0.50
ATP2A2 P16615 1/20 0.50
ATP2A3 Q93084 1/20 0.50
TDP1 Q9NUW8 3/20 0.45
TSHR P16473 2/20 0.45
HSP90AA1 P07900 4/20 0.41
HSP90AB1 P08238 4/20 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
SCHEMBL7808185 0.94 ALDH1A1 (0.62) ALDH1A1ALOX15HSD17B10LMNANR1I2
SCHEMBL7922321 0.93 ALDH1A1 (0.50) ALDH1A1ALOX15HSD17B10LMNANR1I2
SCHEMBL7799222 0.92 ALDH1A1 (0.53) ALDH1A1ALOX15HSD17B10LMNANR1I2
SCHEMBL7808158 0.86 ALDH1A1 (0.56) ALDH1A1ALOX15HSD17B10LMNANR1I2
SCHEMBL1597576 0.85 ALDH1A1 (0.59) ALDH1A1ALOX15HSD17B10LMNANR1I2
SCHEMBL30343447 0.85 ALDH1A1 (0.59) ALDH1A1ALOX15HSD17B10LMNANR1I2
SCHEMBL31388034 0.83 ALDH1A1 (0.57) ALDH1A1ALOX15HSD17B10LMNANR1I2
SCHEMBL5164240 0.83 ALDH1A1 (0.57) ALDH1A1ALOX15HSD17B10LMNANR1I2
SCHEMBL3287976 0.83 ALDH1A1 (0.57) ALDH1A1ALOX15HSD17B10LMNANR1I2
SCHEMBL7804646 0.82 ALDH1A1 (0.50) ALDH1A1ALOX15HSD17B10LMNANR1I2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1767090-B1 CLATHRATE COMPOUND, METHOD OF CONTROLLING CONCENTRATION OF AQUEOUS SOLUTION OF AGRICULTURAL-CHEMICAL ACTIVE INGREDIENT, AND AGRICULTURAL-CHEMICAL PREPARATION NIPPON SODA CO (JP) 2015-08-12 EP disclosed
EP-1780224-B1 MULTIBRANCHED POLYMERS AND PROCESS FOR PRODUCTION THEREOF NIPPON SODA CO (JP) 2015-02-18 EP disclosed
US-8710165-B2 Multibranched polymer and method for producing the same NIPPON SODA CO., LTD. (JP) 2014-04-29 US disclosed
US-20110152388-A1 Multibranched polymer and method for producing the same NIPPON SODA CO., LTD. (JP) 2011-06-23 US disclosed
US-7943803-B2 Clathrate compound, method for controlling concentration of aqueous agricultural chemical active ingredient solution, and agricultural chemical formulation NIPPON SODA CO., LTD. (JP) 2011-05-17 US disclosed
US-7919570-B2 narrowly dispersed; controlled molecular weight; ionic conductivity, shape stability; battery adhesive or binder; 1,1,2,2-tetrakis(4-hydroxyphenyl)ethane or pentaerythritol reacted with bromoisobutyroyl bromide for core; living radical polymerization of acrylate or a styrene at halogen atoms as the arms NIPPON SODA CO., LTD. (JP) 2011-04-05 US disclosed
US-20100274006-A1 Clathrate compound, method for controlling concentration of aqueous agricultural chemical active ingredient solution, and agricultural chemical formulation NIPPON SODA CO., LTD (JP) 2010-10-28 US disclosed
US-7737309-B2 Clathrate compound, method for controlling concentration of aqueous agricultural chemical active ingredient solution, and agricultural chemical formulation NIPPON SODA CO., LTD. (JP) 2010-06-15 US disclosed
US-7601784-B2 1,1,2,2-tetrakis(4-hydroxyphenyl)ethane is used to molecular alignment, chemical stabilization, heat resist, flexiable and modification of the polyether having hydrogen bond sites; for waste water treatments, energy transducers, conductors NIPPON SODA CO., LTD. (JP) 2009-10-13 US disclosed
US-20080214685-A1 Multibrached Polymer and Method for Producing the Same NIPPON SODA CO., LTD. (JP) 2008-09-04 US disclosed
US-20070281929-A1 Clathrate Compound, Method for Controlling Concentration of Aqueous Agricultural Chemical Active Ingredient Solution, and Agricultural Chemical Formulation NIPPON SODA CO., LTD. (JP) 2007-12-06 US disclosed
EP-1792947-A1 Molecular compound comprising polymer having hydrogen bond as component compound NIPPON SODA CO., LTD. (JP) 2007-06-06 EP disclosed
EP-1780224-A1 MULTIBRANCHED POLYMERS AND PROCESS FOR PRODUCTION THEREOF NIPPON SODA CO., LTD. (JP) 2007-05-02 EP disclosed
EP-1767090-A1 CLATHRATE COMPOUND, METHOD OF CONTROLLING CONCENTRATION OF AQUEOUS SOLUTION OF AGRICULTURAL-CHEMICAL ACTIVE INGREDIENT, AND AGRICULTURAL-CHEMICAL PREPARATION NIPPON SODA CO., LTD. (JP) 2007-03-28 EP disclosed
US-20020193528-A1 Molecular compound comprising polymer having hydrogen bond as component compound NIPPON SODA CO., LTD. (JP) 2002-12-19 US disclosed
EP-1241230-A1 MOLECULAR COMPOUND COMPRISING POLYMER HAVING HYDROGEN BOND AS COMPONENT COMPOUND NIPPON SODA CO., LTD. (JP) 2002-09-18 EP disclosed
US-6147169-A LOW TEMPERATURE CURING MIXTURE OF REACTIVE BASE RESIN AND A CLATHRATE COMPRISING A TETRAKISPHENOL HOSTING A CURING AGENT OR CURING CATALYST; STORAGE STABILITY, CORROSION RESISTANCE, ADHESION KANSAI PAINT CO., LTD. (JP) 2000-11-14 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 (3 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-20100274006-A1 Clathrate compound, method for controlling concentration of aqueous agricultural chemical active ingredient solution, and agricultural chemical formulation STOM, ALB, GANC ALDH1A1 4804/4885ALOX15 4615/4885HSD17B10 3862/4885
US-20020193528-A1 Molecular compound comprising polymer having hydrogen bond as component compound PIEZO1, PARN, PARG ALDH1A1 1999/4885ALOX15 2840/4885HSD17B10 3191/4885
US-20070281929-A1 Clathrate Compound, Method for Controlling Concentration of Aqueous Agricultural Chemical Active Ingredient Solution, and Agricultural Chemical Formulation CA3, CA2, STOM ALDH1A1 4757/4885ALOX15 4628/4885HSD17B10 2683/4885

“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.