SCHEMBL1758073

SCHEMBL1758073

Cc1cc(C(c2cccc(C(c3ccc(O)c(C)c3)c3ccc(O)c(C)c3)c2)c2ccc(O)c(C)c2)ccc1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
HSD17B1 P14061 3/20 0.44
HSD17B2 P37059 3/20 0.44
PDE10A Q9Y233 1/20 0.43
ESR2 Q92731 7/20 0.43
ESR1 P03372 7/20 0.42
TRPA1 O75762 3/20 0.41
PTGS1 P23219 1/20 0.41
CACNA1C Q13936 1/20 0.41
AR P10275 3/20 0.39
CYP3A4 P08684 3/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C19 P33261 2/20 0.39
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
HPGD P15428 2/20 0.38
ALOX15 P16050 2/20 0.38
ALOX12 P18054 2/20 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
SCHEMBL29465801 0.91 TP53 (0.54) TP53TDP1HSD17B1HSD17B2PDE10A
SCHEMBL674987 0.91 TP53 (0.54) TP53TDP1HSD17B1HSD17B2PDE10A
SCHEMBL2408575 0.90 HSD17B1 (0.53) TP53TDP1HSD17B1HSD17B2ESR2
SCHEMBL23121514 0.90 ESR1 (0.47) TP53TDP1HSD17B1HSD17B2PDE10A
SCHEMBL2031810 0.90 ESR1 (0.47) TP53TDP1HSD17B1HSD17B2PDE10A
SCHEMBL31620715 0.90 ESR1 (0.47) TP53TDP1HSD17B1HSD17B2PDE10A
SCHEMBL1596751 0.89 TP53 (0.52) TP53TDP1HSD17B1HSD17B2PDE10A
SCHEMBL22238268 0.86 TP53 (0.47) TP53TDP1HSD17B1HSD17B2PDE10A
SCHEMBL36674 0.85 TDP1 (0.48) TP53TDP1PDE10AESR1TRPA1
SCHEMBL30374855 0.85 TDP1 (0.48) TP53TDP1PDE10AESR1TRPA1

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 10 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-6861210-B2 Resist remover composition DONGJIN SEMICHEN CO., LTD. (KR) 2005-03-01 US 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
US-6140027-A WATER SOLUBLE AMINE, POLAR ORGANIC SOLVENT, TRIAZOLE COMPOUND AND SILICONE SURFACTANT DONGJIN SEMICHEM CO., LTD. (KR) 2000-10-31 US disclosed
EP-0831370-A1 POSITIVE RESIST COMPOSITION NIPPON ZEON CO., LTD. (JP) 1998-03-25 EP 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 TP53 1159/4885TDP1 4690/4885HSD17B1 3498/4885
US-20070281929-A1 Clathrate Compound, Method for Controlling Concentration of Aqueous Agricultural Chemical Active Ingredient Solution, and Agricultural Chemical Formulation CA3, CA2, STOM TP53 1268/4885TDP1 4820/4885HSD17B1 2569/4885

“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.