SCHEMBL1758484

SCHEMBL1758484

Oc1cc(C(c2ccc(C(c3ccc(Br)c(O)c3)c3ccc(Br)c(O)c3)cc2)c2ccc(Br)c(O)c2)ccc1Br

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.38
KDM1B Q8NB78 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
GAA P10253 1/20 0.38
AKR1C3 P42330 1/20 0.37
AKR1C2 P52895 1/20 0.37
ALOX15 P16050 2/20 0.36
TRPA1 O75762 1/20 0.35
PTGS1 P23219 1/20 0.35
CACNA1C Q13936 1/20 0.35
RECQL P46063 3/20 0.33
TDP1 Q9NUW8 3/20 0.33
MAPT P10636 2/20 0.33
HPGD P15428 2/20 0.33
APEX1 P27695 2/20 0.33
BLM P54132 2/20 0.33
LMNA P02545 2/20 0.33
KDM4E B2RXH2 2/20 0.33
ADRB2 P07550 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
SCHEMBL1597351 0.81 GAA (0.53) MEN1KMT2AGAAALOX15CYP19A1
SCHEMBL1493968 0.79 TRPA1 (0.59) MEN1KMT2AGAAALOX15TRPA1
SCHEMBL21408578 0.79 TRPA1 (0.39) KDM1AKDM1BKMT2AGAAAKR1C3
SCHEMBL4460187 0.78 GAA (0.54) MEN1KMT2AGAAALOX15CYP19A1
SCHEMBL29465784 0.78 GAA (0.54) MEN1KMT2AGAAALOX15CYP19A1
SCHEMBL9358636 0.77 ESR1 (0.41) MEN1KMT2AGAAALOX15TRPA1
SCHEMBL15135007 0.74 MEN1 (0.47) MEN1KMT2AGAAALOX15CYP19A1
SCHEMBL29919857 0.74 MEN1 (0.47) MEN1KMT2AGAAALOX15CYP19A1
SCHEMBL109026 0.74 TDP1 (0.54) MEN1KMT2AALOX15PTGS1RECQL
SCHEMBL31516962 0.74 TDP1 (0.54) MEN1KMT2AALOX15PTGS1RECQL

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 KDM1A 1646/4885KDM1B 1681/4885MEN1 1809/4885
US-20070281929-A1 Clathrate Compound, Method for Controlling Concentration of Aqueous Agricultural Chemical Active Ingredient Solution, and Agricultural Chemical Formulation CA3, CA2, STOM KDM1A 2489/4885KDM1B 2191/4885MEN1 2729/4885

“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.