SCHEMBL1758832

SCHEMBL1758832

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.47
GABRB2 P47870 3/20 0.47
HIF1A Q16665 3/20 0.45
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45
ALOX12 P18054 1/20 0.45
HTT P42858 1/20 0.45
LMNA P02545 5/20 0.42
RECQL P46063 4/20 0.42
TDP1 Q9NUW8 4/20 0.42
KDM4E B2RXH2 4/20 0.42
MAPT P10636 3/20 0.42
TSHR P16473 2/20 0.42
BLM P54132 2/20 0.42
ALOX15 P16050 1/20 0.42
NFKB1 P19838 1/20 0.42
THPO P40225 1/20 0.42
HSD17B10 Q99714 1/20 0.42
POLB P06746 1/20 0.42
APEX1 P27695 1/20 0.42

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
SCHEMBL2202094 0.94 ESR1 (0.45) GABRA1GABRB2HIF1AALDH1A1GAA
SCHEMBL25505374 0.94 ESR1 (0.45) GABRA1GABRB2HIF1AALDH1A1GAA
SCHEMBL9818054 0.92 GABRA1 (0.50) GABRA1GABRB2HIF1AALDH1A1GAA
SCHEMBL2202076 0.92 TDP1 (0.53) GABRA1GABRB2HIF1AALDH1A1GAA
SCHEMBL8153198 0.90 GABRA1 (0.47) GABRA1GABRB2HIF1AALDH1A1GAA
SCHEMBL224395 0.86 ALOX12 (0.59) GABRA1GABRB2HIF1AALDH1A1GAA
SCHEMBL31655440 0.86 ALOX12 (0.59) GABRA1GABRB2HIF1AALDH1A1GAA
SCHEMBL1758097 0.86 GABRA1 (0.57) GABRA1GABRB2HIF1AALDH1A1GAA
SCHEMBL2313347 0.85 ADRB1 (0.50) GABRA1GABRB2HIF1AALDH1A1GAA
SCHEMBL4390370 0.84 GABRA1 (0.48) GABRA1GABRB2HIF1AALDH1A1GAA

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 7 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
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-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-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-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-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 (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-20100274006-A1 Clathrate compound, method for controlling concentration of aqueous agricultural chemical active ingredient solution, and agricultural chemical formulation STOM, ALB, GANC GABRA1 2854/4885GABRB2 3250/4885HIF1A 3210/4885
US-20070281929-A1 Clathrate Compound, Method for Controlling Concentration of Aqueous Agricultural Chemical Active Ingredient Solution, and Agricultural Chemical Formulation CA3, CA2, STOM GABRA1 2320/4885GABRB2 2491/4885HIF1A 4445/4885

“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.