SCHEMBL1758097

SCHEMBL1758097

CC(C)c1cc(C(c2ccc(O)c(C(C)C)c2)c2ccccc2C(c2ccc(O)c(C(C)C)c2)c2ccc(O)c(C(C)C)c2)ccc1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.57
GABRB2 P47870 3/20 0.57
HIF1A Q16665 4/20 0.43
LMNA P02545 4/20 0.43
TSHR P16473 3/20 0.43
CYP1A2 P05177 2/20 0.43
BLM P54132 2/20 0.43
PTGS1 P23219 2/20 0.43
SLC6A2 P23975 2/20 0.43
HTR2B P41595 2/20 0.43
FAAH O00519 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CYP3A4 P08684 1/20 0.43
HPGD P15428 1/20 0.43
GABRB1 P18505 1/20 0.43
GABRG2 P18507 1/20 0.43
HTR2C P28335 1/20 0.43
GABRB3 P28472 1/20 0.43
GABRA5 P31644 1/20 0.43

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
SCHEMBL30374786 0.94 GABRA1 (0.61) GABRA1GABRB2HIF1ALMNATSHR
SCHEMBL2202971 0.94 GABRA1 (0.61) GABRA1GABRB2HIF1ALMNATSHR
SCHEMBL9818054 0.87 GABRA1 (0.50) GABRA1GABRB2HIF1ALMNATSHR
SCHEMBL1758832 0.86 GABRA1 (0.47) GABRA1GABRB2HIF1ALMNATSHR
SCHEMBL8153198 0.85 GABRA1 (0.47) GABRA1GABRB2HIF1ALMNATSHR
SCHEMBL2202076 0.82 TDP1 (0.53) GABRA1GABRB2HIF1ALMNATSHR
SCHEMBL224395 0.81 ALOX12 (0.59) GABRA1GABRB2HIF1ALMNATSHR
SCHEMBL31655440 0.81 ALOX12 (0.59) GABRA1GABRB2HIF1ALMNATSHR
SCHEMBL2202094 0.81 ESR1 (0.45) GABRA1GABRB2HIF1ALMNATSHR
SCHEMBL25505374 0.81 ESR1 (0.45) GABRA1GABRB2HIF1ALMNATSHR

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.