SCHEMBL1758095

SCHEMBL1758095

Oc1cc(C(c2ccc(C(c3ccc(I)c(O)c3)c3ccc(I)c(O)c3)cc2)c2ccc(I)c(O)c2)ccc1I

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.35
PTGS1 P23219 1/20 0.35
CACNA1C Q13936 1/20 0.35
TDP1 Q9NUW8 8/20 0.33
RECQL P46063 7/20 0.33
MAPT P10636 7/20 0.33
KDM4E B2RXH2 6/20 0.33
APEX1 P27695 4/20 0.33
KMT2A Q03164 4/20 0.33
BLM P54132 3/20 0.33
LMNA P02545 3/20 0.33
MEN1 O00255 3/20 0.33
HPGD P15428 2/20 0.33
ADRB2 P07550 2/20 0.33
ADRB1 P08588 2/20 0.33
ADRA2A P08913 2/20 0.33
ADORA3 P0DMS8 2/20 0.33
ADRB3 P13945 2/20 0.33
DRD2 P14416 2/20 0.33
ADRA2B P18089 2/20 0.33

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
SCHEMBL1758133 0.81 FOLH1 (0.35) TDP1RECQLMAPTKDM4EAPEX1
SCHEMBL1659373 0.79 TRPA1 (0.59) TRPA1PTGS1CACNA1CTDP1RECQL
SCHEMBL31275900 0.78 HIF1A (0.35) TRPA1PTGS1CACNA1CTDP1RECQL
SCHEMBL31276112 0.76 ESR1 (0.38) PTGS1TDP1RECQLMAPTKDM4E
SCHEMBL31276235 0.76 ESR1 (0.38) PTGS1TDP1RECQLMAPTKDM4E
SCHEMBL109026 0.74 TDP1 (0.54) PTGS1TDP1RECQLMAPTKDM4E
SCHEMBL31516962 0.74 TDP1 (0.54) PTGS1TDP1RECQLMAPTKDM4E
SCHEMBL18855331 0.73 TTR (0.48) TRPA1PTGS1CACNA1CTDP1MAPT
SCHEMBL23082072 0.72 HKDC1 (0.42) TRPA1PTGS1CACNA1CTDP1RECQL
SCHEMBL1758484 0.71 KDM1A (0.38) TRPA1PTGS1CACNA1CTDP1RECQL

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 TRPA1 19/4885PTGS1 3743/4885CACNA1C 1112/4885
US-20070281929-A1 Clathrate Compound, Method for Controlling Concentration of Aqueous Agricultural Chemical Active Ingredient Solution, and Agricultural Chemical Formulation CA3, CA2, STOM TRPA1 13/4885PTGS1 2717/4885CACNA1C 943/4885

“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.