SCHEMBL1758133

SCHEMBL1758133

Oc1ccc(C(c2ccc(C(c3ccc(O)c(I)c3)c3ccc(O)c(I)c3)cc2)c2ccc(O)c(I)c2)cc1I

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 2/20 0.35
HIF1A Q16665 2/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
ALOX12 P18054 1/20 0.34
HTT P42858 1/20 0.34
RECQL P46063 6/20 0.33
TDP1 Q9NUW8 6/20 0.33
MAPT P10636 5/20 0.33
KDM4E B2RXH2 5/20 0.33
APEX1 P27695 3/20 0.33
BLM P54132 3/20 0.33
LMNA P02545 3/20 0.33
HPGD P15428 2/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
ADRA2A P08913 1/20 0.33
ADORA3 P0DMS8 1/20 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
SCHEMBL31275900 0.98 HIF1A (0.35) FOLH1HIF1AALDH1A1GAAALOX12
SCHEMBL31276112 0.94 ESR1 (0.38) FOLH1HIF1AALDH1A1GAARECQL
SCHEMBL31276235 0.94 ESR1 (0.38) FOLH1HIF1AALDH1A1GAARECQL
SCHEMBL1758095 0.81 TRPA1 (0.35) HIF1AALDH1A1ALOX12RECQLTDP1
SCHEMBL11112214 0.79 ESR1 (0.46) FOLH1HIF1AALDH1A1GAAALOX12
SCHEMBL788149 0.79 ALDH1A1 (0.57) FOLH1HIF1AALDH1A1GAAALOX12
SCHEMBL18855331 0.78 TTR (0.48) HIF1AALDH1A1GAAALOX12HTT
SCHEMBL7541393 0.77 TDP1 (0.47) HIF1AALDH1A1GAAALOX12HTT
SCHEMBL24588593 0.77 FOLH1 (0.42) FOLH1HIF1AALDH1A1GAAALOX12
SCHEMBL29695968 0.77 FOLH1 (0.42) FOLH1HIF1AALDH1A1GAAALOX12

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 FOLH1 2573/4885HIF1A 3210/4885ALDH1A1 4804/4885
US-20070281929-A1 Clathrate Compound, Method for Controlling Concentration of Aqueous Agricultural Chemical Active Ingredient Solution, and Agricultural Chemical Formulation CA3, CA2, STOM FOLH1 2479/4885HIF1A 4445/4885ALDH1A1 4757/4885

“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.