SCHEMBL1758433

SCHEMBL1758433

Oc1ccc(C(c2cccc(C(c3ccc(O)c(Cl)c3)c3ccc(O)c(Cl)c3)c2)c2ccc(O)c(Cl)c2)cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 3/20 0.48
TSHR P16473 3/20 0.46
HSD17B10 Q99714 3/20 0.46
HSD17B1 P14061 2/20 0.44
HSD17B2 P37059 2/20 0.44
CA2 P00918 2/20 0.43
CA1 P00915 1/20 0.43
ESR1 P03372 2/20 0.40
KIF11 P52732 1/20 0.40
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
ALOX15 P16050 1/20 0.37
ALOX12 P18054 1/20 0.37
CYP2C19 P33261 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HIF1A Q16665 1/20 0.37
ADORA2A P29274 1/20 0.36
HPGD P15428 1/20 0.36
AR P10275 1/20 0.36

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
SCHEMBL4458922 0.91 HSD17B10 (0.54) ESR2TSHRHSD17B10HSD17B1HSD17B2
SCHEMBL29465800 0.91 HSD17B10 (0.54) ESR2TSHRHSD17B10HSD17B1HSD17B2
SCHEMBL1596153 0.89 HSD17B10 (0.52) ESR2TSHRHSD17B10HSD17B1HSD17B2
SCHEMBL1758423 0.83 ESR2 (0.48) ESR2TSHRHSD17B10HSD17B1HSD17B2
SCHEMBL1758242 0.82 ESR2 (0.52) ESR2TSHRHSD17B10HSD17B1HSD17B2
SCHEMBL30343463 0.78 HSD17B10 (0.54) ESR2TSHRHSD17B10HSD17B1HSD17B2
SCHEMBL1596005 0.78 HSD17B10 (0.54) ESR2TSHRHSD17B10HSD17B1HSD17B2
SCHEMBL19301757 0.76 HSD17B10 (0.52) ESR2TSHRHSD17B10HSD17B1HSD17B2
SCHEMBL1758073 0.75 TP53 (0.46) ESR2HSD17B10HSD17B1HSD17B2CA2
SCHEMBL28384061 0.75 ESR2 (0.53) ESR2TSHRHSD17B10CA2CA1

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 ESR2 4000/4885TSHR 4669/4885HSD17B10 3862/4885
US-20070281929-A1 Clathrate Compound, Method for Controlling Concentration of Aqueous Agricultural Chemical Active Ingredient Solution, and Agricultural Chemical Formulation CA3, CA2, STOM ESR2 4159/4885TSHR 3930/4885HSD17B10 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.